8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid (CHEBI:187227)

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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	8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid

ChEBI ID	CHEBI:187227

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22O3

Net Charge

Average Mass

286.371

Monoisotopic Mass

286.15689

InChI

InChI=1S/C18H22O3/c1-2-3-4-5-6-7-10-13-16-17(21-16)14-11-8-9-12-15-18(19)20/h3-6,16-17H,2,7,10,12-13,15H2,1H3,(H,19,20)/b4-3-,6-5-/t16-,17-/m1/s1

InChIKey

SWRMRPSAQGCYAR-RQUJOCSXSA-N

SMILES

O1[C@@H]([C@H]1C#CC#CCCC(O)=O)CCC\C=C/C=C\CC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid (CHEBI:187227) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

7-[(2R,3R)-3-[(4Z,6Z)-nona-4,6-dienyl]oxiran-2-yl]hepta-4,6-diynoic acid