CHEBI:192304 - Pentanenitrile

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pentanenitrile
ChEBI ID CHEBI:192304
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H9N
Net Charge 0
Average Mass 83.134
Monoisotopic Mass 83.07350
InChI InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3
InChIKey RFFFKMOABOFIDF-UHFFFAOYSA-N
SMILES N#CCCCC
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Rumen (NCIT:C98778). See: MetaboLights Study
ChEBI Ontology
Outgoing Pentanenitrile (CHEBI:192304) is a nitrile (CHEBI:18379)
IUPAC Name
pentanenitrile
Manual Xrefs Databases
7770 ChemSpider
HMDB0040173 HMDB
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Registry Number Type Source
110-59-8 CAS Registry Number ChemIDplus