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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	ethyl 5r,6r-epoxy-7-eicosynoate

ChEBI ID	CHEBI:230769

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H38O3

Net Charge

Average Mass

350.543

Monoisotopic Mass

350.28210

InChI

InChI=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

InChIKey

LZAQRTYTZUGVMN-NHCUHLMSSA-N

SMILES

O1[C@@H]([C@H]1C#CCCCCCCCCCCCC)CCCC(OCC)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	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