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CHEBI:191035 - 4,5-epoxy-7z,10z,13z,16z,19z-docosapentaenoic acid, methyl ester

ChEBI IDCHEBI:191035
ChEBI Name4,5-epoxy-7z,10z,13z,16z,19z-docosapentaenoic acid, methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC1OC1CCC(=O)OC
InChIInChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(26-21)19-20-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,21-22H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyWBYKJDXNMZXEMM-JEBPEJKESA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4,5-epoxy-7z,10z,13z,16z,19z-docosapentaenoic acid, methyl ester (CHEBI:191035) is a epoxy fatty acid (CHEBI:61498)
IUPAC Name 
methyl 3-[3-[(2Z,5Z,8Z,11Z,14Z)-heptadeca-2,5,8,11,14-pentaenyl]oxiran-2-yl]propanoate
Manual XrefsDatabases
21467440ChemSpider