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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:quinine(1+)
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Accession:CHEBI:137041 term browser browse the term
Definition:The monoprotonated form of quinine, the predominant species at pH7.3.
Synonyms:exact_synonym: (9R)-9-hydroxy-6'-methoxy-8alpha-cinchonan-1-ium
 related_synonym: Formula=C20H25N2O2;   InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19-,20+/m0/s1;   InChIKey=LOUPRKONTZGTKE-WZBLMQSHSA-O;   SMILES=[H][C@]1(C[C@@H]2CC[N@H+]1C[C@@H]2C=C)[C@H](O)c1ccnc2ccc(OC)cc12;   quinine
 cyclic_relationship: is_conjugate_acid_of CHEBI:15854


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3-hydroxyquinine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 affects chemical synthesis ISO CYP3A4 protein affects the chemical synthesis of 3-hydroxyquinidine CTD PMID:15896247 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    chemical entity 19872
      molecular entity 19872
        ion 17079
          organic ion 11443
            organic cation 8954
              quinine(1+) 1
                3-hydroxyquinine 1
                quinine sulfate + 0
                quininyl group 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            organic molecule 19700
                              organic cyclic compound 19490
                                organic heterocyclic compound 18868
                                  organonitrogen heterocyclic compound 18148
                                    quinolines 2657
                                      (8xi)-cinchonan 66
                                        (8S)-cinchonan 25
                                          quinine(1+) 1
                                            3-hydroxyquinine 1
                                            quinine sulfate + 0
                                            quininyl group 0
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