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2,6-dihydroxypseudooxynicotine - Ontology Report - Rat Genome Database

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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:2,6-dihydroxypseudooxynicotine
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Accession:CHEBI:28220 term browser browse the term
Definition:A dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups.
Synonyms:exact_synonym: 1-(2,6-dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one
 related_synonym: Formula=C10H14N2O3;   InChI=1S/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15);   InChIKey=JJJLAXLRPLCXNT-UHFFFAOYSA-N;   SMILES=CNCCCC(=O)c1ccc(O)nc1O
 alt_id: CHEBI:19401
 xref: KEGG:C15986;   MetaCyc:CPD-113;   Reaxys:394128;   UM-BBD_compID:c0469
 cyclic_relationship: is_conjugate_base_of CHEBI:66944

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  CHEBI ontology 0
    role 0
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        NMR chemical shift reference compound 0
          ammonia 0
            organic amino compound 0
              secondary amino compound 0
                2,6-dihydroxypseudooxynicotine 0
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    subatomic particle 0
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        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
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                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    pyridines 0
                                      hydroxypyridine 0
                                        dihydroxypyridine 0
                                          2,6-dihydroxypseudooxynicotine 0
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