RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0156060
RefMet name4-Methylthiobutanaldoxime
Systematic name4-(methylsulfanyl)butanal oxime
SynonymsPubChem Synonyms
Exact mass133.056135 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC5H11NOSView other entries in RefMet with this formula
Molecular descriptors
Molfile57516 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3
InChIKeyDNYWTMVKWUGHCB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCSCCCC=NO
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic nitrogen compounds
Main ClassOrganonitrogen compounds
Sub ClassOximes
Distribution of 4-Methylthiobutanaldoxime in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 4-Methylthiobutanaldoxime
External Links
Pubchem CID25010747
ChEBI ID50705
KEGG IDC17241
MetaCyc ID3-METHYLTHIOPROPANALDOXIME
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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