CHEBI:136942 - 6-(methylthio)hexanonitrile oxide

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ChEBI Name 6-(methylthio)hexanonitrile oxide ChEBI ID CHEBI:136942 Definition A nitrile oxide that is pentane in which two of the terminal methyl hydrogens at positions 1 and 5 have been replaced by oxidonitrile and methylsulfanyl groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H13NOS Net Charge 0 Average Mass 159.251 Monoisotopic Mass 159.07179 InChI InChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6-8-9/h2-5,7H2,1H3 InChIKey XSPNTRJDTKNMDO-UHFFFAOYSA-N SMILES C(#[N+][O-])CCCCCSC Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: PubMed Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Roles Classification Biological Role(s): Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. View more via ChEBI Ontology ChEBI Ontology Outgoing 6-(methylthio)hexanonitrile oxide (CHEBI:136942) has parent hydride pentane (CHEBI:37830) 6-(methylthio)hexanonitrile oxide (CHEBI:136942) has role Arabidopsis thaliana metabolite (CHEBI:140602) 6-(methylthio)hexanonitrile oxide (CHEBI:136942) is a methyl sulfide (CHEBI:86315) 6-(methylthio)hexanonitrile oxide (CHEBI:136942) is a nitrile oxide (CHEBI:47838) IUPAC Name 6-(methylsulfanyl)hexanenitrile oxide Synonyms Sources 6-(methylsulfanyl)hexanonitrile oxide ChEBI 6-(methylthio)hexanenitrile oxide ChEBI Manual Xref Database 24785403 ChemSpider View more database links Last Modified 18 April 2018