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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 Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 affects chemical synthesis ISO CYP3A4 protein affects the chemical synthesis of 3-hydroxyquinidine CTD PMID:15896247 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    chemical entity 19841
      molecular entity 19839
        ion 15943
          organic ion 8402
            organic cation 7250
              quinine(1+) 1
                3-hydroxyquinine 1
                quinine sulfate + 0
                quininyl group 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic molecule 19556
                              organic cyclic compound 19365
                                organic heterocyclic compound 18486
                                  organonitrogen heterocyclic compound 17559
                                    quinolines 2571
                                      (8xi)-cinchonan 65
                                        (8S)-cinchonan 25
                                          quinine(1+) 1
                                            3-hydroxyquinine 1
                                            quinine sulfate + 0
                                            quininyl group 0
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