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CHEBI:185424 - Ethyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate

ChEBI IDCHEBI:185424
ChEBI NameEthyl 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H35BrO3
Net Charge0
Average Mass463.456
Monoisotopic Mass462.17696
SMILESCCC/C=C\C(Br)=C/C(O)CCCCCC/C=C/C#CC#CCCC(=O)OCC
InChIInChI=1S/C25H35BrO3/c1-3-5-16-19-23(26)22-24(27)20-17-14-12-10-8-6-7-9-11-13-15-18-21-25(28)29-4-2/h6-7,16,19,22,24,27H,3-5,8,10,12,14,17-18,20-21H2,1-2H3/b7-6+,19-16-,23-22+
InChIKeyPREFNHDXWDEDCP-KBAUWEJJSA-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 16-hydroxy-18-bromo-8E,17E19Z-tricosatrien-4,6-diynoate (CHEBI:185424) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl (8E,17E,19Z)-18-bromo-16-hydroxytricosa-8,17,19-trien-4,6-diynoate
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113368350ChemSpider
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