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CHEBI:186564 - Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate

ChEBI IDCHEBI:186564
ChEBI NameEthyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35BrO2
Net Charge0
Average Mass447.457
Monoisotopic Mass446.18204
SMILESCCC/C=C\C(Br)=C/CCCCCCC/C=C/C#CC#CCCC(=O)OCC
InChIInChI=1S/C25H35BrO2/c1-3-5-18-21-24(26)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(27)28-4-2/h7,9,18,21-22H,3-6,8,10,12,14,16,19-20,23H2,1-2H3/b9-7+,21-18-,24-22+
InChIKeyGHVRQXGOEFTAJV-MDCZTPBQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ethyl 18-bromo-8E,17E,19Z-tricosatrien-4,6-diynoate (CHEBI:186564) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl (8E,17E,19Z)-18-bromotricosa-8,17,19-trien-4,6-diynoate
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