EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:230769 - ethyl 5r,6r-epoxy-7-eicosynoate

Default Structure
ChEBI IDCHEBI:230769
ChEBI Nameethyl 5r,6r-epoxy-7-eicosynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O3
Net Charge0
Average Mass350.543
Monoisotopic Mass350.28210
SMILESCCCCCCCCCCCCC#C[C@H]1O[C@@H]1CCCC(=O)OCC
InChIInChI=1S/C22H38O3/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/h20-21H,3-14,16,18-19H2,1-2H3/t20-,21-/m1/s1
InChIKeyLZAQRTYTZUGVMN-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
ethyl 5r,6r-epoxy-7-eicosynoate (CHEBI:230769) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
ethyl 4-[(2R,3R)-3-tetradec-1-ynyloxiran-2-yl]butanoate
Manual XrefsDatabases
113369133ChemSpider
LMFA01070042LIPID MAPS