7-(Methylthio)heptanenitrile (CHEBI:187267)

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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	7-(Methylthio)heptanenitrile

ChEBI ID	CHEBI:187267

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H15NS

Net Charge

Average Mass

157.280

Monoisotopic Mass

157.09252

InChI

InChI=1S/C8H15NS/c1-10-8-6-4-2-3-5-7-9/h2-6,8H2,1H3

InChIKey

MAMGGQVRQMBXMB-UHFFFAOYSA-N

SMILES

S(CCCCCCC#N)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	7-(Methylthio)heptanenitrile (CHEBI:187267) is a nitrile (CHEBI:18379)

IUPAC Name

7-methylsulanylheptanenitrile