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CHEBI:136945 - 7-(methylthio)heptanonitrile oxide

ChEBI IDCHEBI:136945
ChEBI Name7-(methylthio)heptanonitrile oxide
Stars
DefinitionA nitrile oxide that is hexane in which two of the terminal methyl hydrogens at positions 1 and 6 have been replaced by oxidonitrile and methylsulfanyl groups.
Last Modified19 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC8H15NOS
Net Charge0
Average Mass173.281
Monoisotopic Mass173.08744
SMILESCSCCCCCCC#[N+][O-]
InChIInChI=1S/C8H15NOS/c1-11-8-6-4-2-3-5-7-9-10/h2-6,8H2,1H3
InChIKeyRFMWHKQIFOKKGC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS272)
- PubMed (27656890)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
7-(methylthio)heptanonitrile oxide (CHEBI:136945) has parent hydride hexane (CHEBI:29021)
7-(methylthio)heptanonitrile oxide (CHEBI:136945) has role Arabidopsis thaliana metabolite (CHEBI:140602)
7-(methylthio)heptanonitrile oxide (CHEBI:136945) is a methyl sulfide (CHEBI:86315)
7-(methylthio)heptanonitrile oxide (CHEBI:136945) is a nitrile oxide (CHEBI:47838)
IUPAC Name 
7-(methylsulfanyl)heptanenitrile oxide
Synonyms  Source
7-methylthioheptanonitrile oxideChEBI
6-(methylthio)heptanenitrile oxideChEBI
6-(methylsulfanyl)heptanonitrile oxideChEBI
Manual XrefsDatabases
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