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CHEBI:136942 - 6-(methylthio)hexanonitrile oxide

ChEBI IDCHEBI:136942
ChEBI Name6-(methylthio)hexanonitrile oxide
Stars
DefinitionA nitrile oxide that is pentane in which two of the terminal methyl hydrogens at positions 1 and 5 have been replaced by oxidonitrile and methylsulfanyl groups.
Last Modified18 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC7H13NOS
Net Charge0
Average Mass159.254
Monoisotopic Mass159.07179
SMILESCSCCCCCC#[N+][O-]
InChIInChI=1S/C7H13NOS/c1-10-7-5-3-2-4-6-8-9/h2-5,7H2,1H3
InChIKeyXSPNTRJDTKNMDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- PubMed (27656890)
- MetaboLights (MTBLS272)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
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  Source
6-(methylthio)hexanenitrile oxideChEBI
6-(methylsulfanyl)hexanonitrile oxideChEBI
Manual XrefsDatabases
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