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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:(S)-nicotine 1-N-oxide
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Accession:CHEBI:132572 term browser browse the term
Definition:A member of the class of pyridine N-oxides obtained by oxidation of the pyridine nitrogen of (S)-nicotine.
Synonyms:exact_synonym: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxo-1lambda(5)-pyridine
 related_synonym: (S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxide;   (S)-nicotine N-oxide;   Formula=C10H14N2O;   InChI=1S/C10H14N2O/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9/h2,4,7-8,10H,3,5-6H2,1H3/t10-/m0/s1;   InChIKey=YHXKVHQFWVYXIC-JTQLQIEISA-N;   Nicotine 1-N-oxide;   Nicotine, 1-oxide;   SMILES=C=1C=C([C@]2(N(CCC2)C)[H])C=[N+](C1)[O-];   nicotine N-oxide
 xref: Beilstein:4673416;   CAS:2820-55-5;   Reaxys:7917;   Reaxys:957799


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19932
    role 19904
      biological role 19902
        xenobiotic 18763
          (S)-nicotine 1154
            (S)-nicotine 1-N-oxide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    main group molecular entity 19876
                      s-block molecular entity 19705
                        hydrogen molecular entity 19686
                          hydrides 19179
                            inorganic hydride 18191
                              pnictogen hydride 18181
                                nitrogen hydride 18092
                                  azane 17895
                                    ammonia 17894
                                      organic amino compound 17894
                                        tertiary amino compound 10156
                                          N-alkylpyrrolidine 1236
                                            3-(1-methylpyrrolidin-2-yl)pyridine 1154
                                              (S)-nicotine 1154
                                                (S)-nicotine 1-N-oxide 0
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