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CHEBI:187397 - ethyl 5R,6R-epoxy-9E-eicosen-7-ynoate

ChEBI IDCHEBI:187397
ChEBI Nameethyl 5R,6R-epoxy-9E-eicosen-7-ynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILESCCCCCCCCCC/C=C/C#C[C@H]1O[C@@H]1CCCC(=O)OCC
InChIInChI=1S/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-21(25-20)18-16-19-22(23)24-4-2/h13-14,20-21H,3-12,16,18-19H2,1-2H3/b14-13+/t20-,21-/m1/s1
InChIKeyUHYQLOYIYUQZJO-SVKRATOZSA-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 5R,6R-epoxy-9E-eicosen-7-ynoate (CHEBI:187397) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl 4-[(2R,3R)-3-[(E)-tetradec-3-en-1-ynyl]oxiran-2-yl]butanoate
Manual XrefsDatabases
113369139ChemSpider
LMFA01070048LIPID MAPS