CHEBI:191223 - crotononitrile

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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 crotononitrile
ChEBI ID CHEBI:191223
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C4H5N
Net Charge 0
Average Mass 67.091
Monoisotopic Mass 67.04220
InChI InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InChIKey NKKMVIVFRUYPLQ-NSCUHMNNSA-N
SMILES N#C\C=C\C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing crotononitrile (CHEBI:191223) is a nitrile (CHEBI:18379)
IUPAC Name
(E)-but-2-enenitrile
Manual Xref Database
553494 ChemSpider
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Registry Number Type Source
627-26-9 CAS Registry Number ChemIDplus