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CHEBI:136065 - 1-aci-nitro-ω-(methylsulfanyl)alkane

Default Structure
ChEBI IDCHEBI:136065
ChEBI Name1-aci-nitro-ω-(methylsulfanyl)alkane
Stars
ASCII Name1-aci-nitro-omega-(methylsulfanyl)alkane
DefinitionAn aci-nitro compound resulting from the formal oxidation of the oxime nitrogen of an ω-(methylsulfany)-alkanal oxime.
Last Modified12 August 2022
SubmitterKristian Axelsen
DownloadsMolfile
Formula(CH2)n.C4H9NO2S
Net Charge0
Average Mass149.215
Monoisotopic Mass149.05105
SMILESCSCCCC=[N+]([O-])O
InChIInChI=1S/C5H11NO2S/c1-9-5-3-2-4-6(7)8/h4H,2-3,5H2,1H3,(H,7,8)
InChIKeyKZCTZQMFYMYSGR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-aci-nitro-ω-(methylsulfanyl)alkane (CHEBI:136065) is a aci-nitro compound (CHEBI:136622)
1-aci-nitro-ω-(methylsulfanyl)alkane (CHEBI:136065) is a methyl sulfide (CHEBI:86315)
Incoming Relation(s)
(1E)-1-aci-nitro-ω-(methylsulfanyl)alkane (CHEBI:192829) is a 1-aci-nitro-ω-(methylsulfanyl)alkane (CHEBI:136065)
IUPAC Name 
[ω-(methylsulfanyl)alkylidene]azinic acid
Synonyms  Source
1-aci-nitro-ω-(methylthio)alkaneChEBI
[ω-(methylsulfanyl)alkylidene]azinic acidChEBI
[ω-(methylthio)alkylidene]azinic acidIUPAC
UniProt Name  Source
1-aci-nitro-ω-(methylthio)alkaneUniProt
Manual XrefsDatabases
CPD-19473MetaCyc
Citations