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

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

ChEBI ID	CHEBI:230588

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H34O3

Net Charge

Average Mass

334.500

Monoisotopic Mass

334.25079

InChI

InChI=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

InChIKey

IFPYWNUVVZGOJV-OKLSWEBGSA-N

SMILES

O1[C@@H]([C@H]1C#C\C=C\CCCCCCCCCC)CCCC(OC)=O

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

ChEBI Ontology
Outgoing	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