CHEBI:189391 - Dodecanenitrile

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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 Dodecanenitrile
ChEBI ID CHEBI:189391
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N
Net Charge 0
Average Mass 181.323
Monoisotopic Mass 181.18305
InChI InChI=1S/C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-11H2,1H3
InChIKey VXCUURYYWGCLIH-UHFFFAOYSA-N
SMILES N#CCCCCCCCCCCC
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Dodecanenitrile (CHEBI:189391) is a nitrile (CHEBI:18379)
IUPAC Name
dodecanenitrile
Manual Xrefs Databases
16177 ChemSpider
D91248 KEGG DRUG
View more database links
Registry Number Type Source
2437-25-4 CAS Registry Number ChemIDplus