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CHEBI:91153 - 1-cyano-8-(methylsulfinyl)octane
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ChEBI Name
1-cyano-8-(methylsulfinyl)octane
ChEBI ID
CHEBI:91153
Definition
A member of the class of aliphatic nitriles that is nonanenitrile in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H19NOS
Net Charge
0
Average Mass
201.330
Monoisotopic Mass
201.11874
InChI
InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
InChIKey
XGRYRNQISNOEGY-UHFFFAOYSA-N
SMILES
C(CCCCS(C)=O)CCCC#N
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
PubMed
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
MetaboLights Study
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-cyano-8-(methylsulfinyl)octane (
CHEBI:91153
)
has role
plant metabolite (
CHEBI:76924
)
1-cyano-8-(methylsulfinyl)octane (
CHEBI:91153
)
is a
aliphatic nitrile (
CHEBI:80291
)
1-cyano-8-(methylsulfinyl)octane (
CHEBI:91153
)
is a
sulfoxide (
CHEBI:22063
)
IUPAC Name
9-(methanesulfinyl)nonanenitrile
Synonyms
Sources
8-(methylsulfinyl)octyl cyanide
ChEBI
8-MeSO-octyl-CN
ChEBI
9-methylsulfinylnonanenitrile
ChEBI
Registry Number
Type
Source
7914995
Reaxys Registry Number
Reaxys
Citation
Type
Source
25457500
PubMed citation
Europe PMC
Last Modified
05 July 2016