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CHEBI:171910 - Erucoylacetone

ChEBI IDCHEBI:171910
ChEBI NameErucoylacetone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H46O2
Net Charge0
Average Mass378.641
Monoisotopic Mass378.34978
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)CC(C)=O
InChIInChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(27)23-24(2)26/h10-11H,3-9,12-23H2,1-2H3/b11-10-
InChIKeyMDFRVEWZNNVTRI-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Erucoylacetone (CHEBI:171910) is a β-diketone (CHEBI:67265)
IUPAC Name 
(Z)-pentacos-16-ene-2,4-dione
Manual XrefsDatabases
30777149ChemSpider
HMDB0035951HMDB