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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:primaquine
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Accession:CHEBI:8405 term browser browse the term
Definition:An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.
Synonyms:exact_synonym: N(4)-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
 related_synonym: 6-Methoxy-8-(4-amino-1-methylbutylamino)quinoline;   8-((4-Amino-1-methylbutyl)amino)-6-methoxyquinoline;   8-(4-Amino-1-methylbutylamino)-6-methoxyquinoline;   Formula=C15H21N3O;   InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3;   InChIKey=INDBQLZJXZLFIT-UHFFFAOYSA-N;   Neo-Quipenyl;   Primachin;   Primachinum;   Primaquin;   SMILES=COc1cc(NC(C)CCCN)c2ncccc2c1;   primaquina;   primaquinum
 alt_id: CHEBI:110389
 xref: Beilstein:19337;   CAS:90-34-6;   DrugBank:DB01087;   Drug_Central:2266;   Gmelin:751542;   HMDB:HMDB0015219;   KEGG:C07627;   KEGG:D08420;   LINCS:LSM-1649
 xref_mesh: MESH:D011319
 xref: PMID:10928454;   PMID:11303037;   PMID:12036132;   PMID:14917959;   PMID:15494911;   PMID:16537060;   PMID:17253504;   PMID:18930565;   PMID:19114311;   PMID:2210868;   PMID:28279180;   PMID:28289025;   PMID:8920977;   Reaxys:19337;   Wikipedia:Primaquine


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Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      application 452
        NMR chemical shift reference compound 326
          ammonia 321
            organic amino compound 321
              aromatic amine 119
                aminoquinoline 0
                  primaquine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    main group molecular entity 487
                      s-block molecular entity 438
                        hydrogen molecular entity 437
                          hydrides 362
                            inorganic hydride 327
                              pnictogen hydride 326
                                nitrogen hydride 326
                                  azane 321
                                    ammonia 321
                                      organic amino compound 321
                                        polyamine 2
                                          diamine 2
                                            N-substituted diamine 0
                                              primaquine 0
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