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CHEBI:192304 - Pentanenitrile

Default Structure
ChEBI IDCHEBI:192304
ChEBI NamePentanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9N
Net Charge0
Average Mass83.134
Monoisotopic Mass83.07350
SMILESCCCCC#N
InChIInChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
InChIKeyRFFFKMOABOFIDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
Pentanenitrile (CHEBI:192304) is a nitrile (CHEBI:18379)
IUPAC Name 
pentanenitrile
Manual XrefsDatabases
7770ChemSpider
HMDB0040173HMDB
Registry NumbersSources
CAS:110-59-8ChemIDplus