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

ChEBI IDCHEBI:187227
ChEBI Name8R,9R-epoxy-13Z,15Z-eicosadien-4,6-diynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O3
Net Charge0
Average Mass286.371
Monoisotopic Mass286.15689
SMILESCC/C=C\C=C/CCC[C@H]1O[C@@H]1C#CC#CCCC(=O)O
InChIInChI=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
InChIKeySWRMRPSAQGCYAR-RQUJOCSXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
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113369140ChemSpider
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