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CHEBI:172647 - Nervonoylacetone

ChEBI IDCHEBI:172647
ChEBI NameNervonoylacetone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H50O2
Net Charge0
Average Mass406.695
Monoisotopic Mass406.38108
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)CC(C)=O
InChIInChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10-
InChIKeyJOPYJNRQQOWTHX-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Nervonoylacetone (CHEBI:172647) is a β-diketone (CHEBI:67265)
IUPAC Name 
(Z)-heptacos-18-ene-2,4-dione
Manual XrefsDatabases
HMDB0035950HMDB
30777150ChemSpider