RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136285
RefMet nameAnatabine
Systematic name3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
SynonymsPubChem Synonyms
Exact mass160.100048 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H12N2View other entries in RefMet with this formula
Molecular descriptors
Molfile38527 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
InChIKeySOPPBXUYQGUQHE-JTQLQIEISA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC1=CCN[C@@H](C1)c1cccnc1
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Distribution of Anatabine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Anatabine
External Links
Pubchem CID11388
ChEBI ID2705
KEGG IDC10126
HMDB IDHMDB0004476
Chemspider ID10910
Spectral data for Anatabine standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo