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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-(isobutylamino)abacavir
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Accession:CHEBI:149437 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 an isobutylamino 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-[(2-methylpropyl)amino]-9H-purin-9-yl}cyclopent-2-en-1-yl]methanol
 related_synonym: (1S,4R)-4-[2-amino-6-[(2-methylpropyl)amino]-9H-purin-9-yl]-2-cyclopentene-1-methanol;   Formula=C15H22N6O;   InChI=1S/C15H22N6O/c1-9(2)6-17-13-12-14(20-15(16)19-13)21(8-18-12)11-4-3-10(5-11)7-22/h3-4,8-11,22H,5-7H2,1-2H3,(H3,16,17,19,20)/t10-,11+/m1/s1;   InChIKey=UHZARYILKCVWLR-MNOVXSKESA-N;   SMILES=[C@H]1(C=C[C@@H](C1)N2C=3C(N=C2)=C(N=C(N3)N)NCC(C)C)CO;   {(1S,4R)-4-[2-amino-6-(isobutylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
 xref: PMID:31549414


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        antimicrobial agent 18104
          antiviral agent 11061
            6-de(cyclopropylamino)-6-(isobutylamino)abacavir 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organic heteropolycyclic compound 18301
                                    organic heterobicyclic compound 17233
                                      imidazopyrimidine 7711
                                        purines 7710
                                          aminopurine 6713
                                            2,6-diaminopurines 39
                                              abacavir 31
                                                6-de(cyclopropylamino)-6-(isobutylamino)abacavir 0
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