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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:tenofovir alafenamide
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Accession:CHEBI:90926 term browser browse the term
Definition:An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection.
Synonyms:exact_synonym: propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate
 related_synonym: Formula=C21H29N6O5P;   GS-7340;   InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1;   InChIKey=LDEKQSIMHVQZJK-CAQYMETFSA-N;   SMILES=N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C;   TAF
 xref: CAS:379270-37-8;   DrugBank:DB09299;   Drug_Central:4944;   KEGG:D10428;   Reaxys:8948831;   Wikipedia:Tenofovir_alafenamide
 cyclic_relationship: is_conjugate_base_of CHEBI:90927



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      application 19679
        pro-agent 11524
          prodrug 11285
            tenofovir alafenamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            heteroorganic entity 19474
                              organochalcogen compound 19262
                                organooxygen compound 19153
                                  carbon oxoacid 18647
                                    carboxylic acid 18620
                                      monocarboxylic acid 17994
                                        fatty acid 16843
                                          fatty acid derivative 8974
                                            fatty alcohol 6132
                                              secondary fatty alcohol 802
                                                propan-2-ol 802
                                                  isopropyl ester 776
                                                    tenofovir alafenamide 0
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