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CHEBI:230588 - methyl 5r,6r-epoxy-9e-eicosen-7-ynoate

Default Structure
ChEBI IDCHEBI:230588
ChEBI Namemethyl 5r,6r-epoxy-9e-eicosen-7-ynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILESCCCCCCCCCC/C=C/C#C[C@H]1O[C@@H]1CCCC(=O)OC
InChIInChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h12-13,19-20H,3-11,15,17-18H2,1-2H3/b13-12+/t19-,20-/m1/s1
InChIKeyIFPYWNUVVZGOJV-OKLSWEBGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
methyl 5r,6r-epoxy-9e-eicosen-7-ynoate (CHEBI:230588) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl 4-[(2R,3R)-3-[(E)-tetradec-3-en-1-ynyl]oxiran-2-yl]butanoate
Manual XrefsDatabases
113369138ChemSpider
LMFA01070047LIPID MAPS