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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:6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir
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Accession:CHEBI:149435 term browser browse the term
Definition:A 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by a 3-methoxyazetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-gamma secretion in abacavir-responsive clones.
Synonyms:exact_synonym: {(1S,4R)-4-[2-amino-6-(3-methoxyazetidin-1-yl)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
 related_synonym: (1S,4R)-4-[2-amino-6-(3-methoxy-1-azetidinyl)-9H-purin-9-yl]-2-cyclopentene-1-methanol;   Formula=C15H20N6O2;   InChI=1S/C15H20N6O2/c1-23-11-5-20(6-11)13-12-14(19-15(16)18-13)21(8-17-12)10-3-2-9(4-10)7-22/h2-3,8-11,22H,4-7H2,1H3,(H2,16,18,19)/t9-,10+/m1/s1;   InChIKey=MXGYFZAWHDLLFI-ZJUUUORDSA-N;   SMILES=[C@H]1(C=C[C@@H](C1)N2C=3C(N=C2)=C(N=C(N3)N)N4CC(C4)OC)CO
 xref: PMID:31549414


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Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      biological role 19815
        antimicrobial agent 18166
          antiviral agent 11074
            6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir 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 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            organic molecule 19686
                              organic cyclic compound 19498
                                organic heterocyclic compound 18876
                                  organic heteropolycyclic compound 18301
                                    organic heterobicyclic compound 17235
                                      imidazopyrimidine 7714
                                        purines 7713
                                          aminopurine 6716
                                            2,6-diaminopurines 39
                                              abacavir 31
                                                6-de(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir 0
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