2-methyl-Pentanedinitrile (CHEBI:229318)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	2-methyl-Pentanedinitrile

ChEBI ID	CHEBI:229318

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H8N2

Net Charge

Average Mass

108.144

Monoisotopic Mass

108.06875

InChI

InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3

InChIKey

FPPLREPCQJZDAQ-UHFFFAOYSA-N

SMILES

N#CC(CCC#N)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-methyl-Pentanedinitrile (CHEBI:229318) is a nitrile (CHEBI:18379)

IUPAC Name

2-methylpentanedinitrile