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CHEBI:229011 - 3-O-14,15-Eicosylenoyl-1-cyano-2-methyl-1,2-propene

ChEBI IDCHEBI:229011
ChEBI Name3-O-14,15-Eicosylenoyl-1-cyano-2-methyl-1,2-propene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H43NO2
Net Charge0
Average Mass389.624
Monoisotopic Mass389.32938
SMILESCCCCCC=CCCCCCCCCCCCCC(=O)OC/C(C)=C\C#N
InChIInChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)28-23-24(2)21-22-26/h7-8,21H,3-6,9-20,23H2,1-2H3/b8-7?,24-21-
InChIKeyGHNBRNPKCNRJOJ-JTJFGZBWSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
3-O-14,15-Eicosylenoyl-1-cyano-2-methyl-1,2-propene (CHEBI:229011) is a fatty acid ester (CHEBI:35748)
3-O-14,15-Eicosylenoyl-1-cyano-2-methyl-1,2-propene (CHEBI:229011) is a nitrile (CHEBI:18379)
IUPAC Name 
[(Z)-3-cyano-2-methylprop-2-enyl] icos-14-enoate
Manual XrefsDatabases
4884666ChemSpider