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CHEBI:191223 - crotononitrile

Default Structure
ChEBI IDCHEBI:191223
ChEBI Namecrotononitrile
Stars
Last Modified23 June 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC4H5N
Net Charge0
Average Mass67.091
Monoisotopic Mass67.04220
SMILESC/C=C/C#N
InChIInChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InChIKeyNKKMVIVFRUYPLQ-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
ChEBI Ontology
Outgoing Relation(s)
crotononitrile (CHEBI:191223) is a nitrile (CHEBI:18379)
IUPAC Name 
(E)-but-2-enenitrile
UniProt Name  Source
crotononitrileUniProt
Manual XrefsDatabases
553494ChemSpider
Registry NumbersSources
CAS:627-26-9ChemIDplus