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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 disoproxil fumarate
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Accession:CHEBI:63718 term browser browse the term
Definition:A fumarate salt prepared from equimolar amounts of tenofovir disoproxil and fumaric acid. It is used in combination therapy for the treatment of HIV infection.
Synonyms:exact_synonym: bis({[(propan-2-yloxy)carbonyl]oxy}methyl) ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate (2E)-but-2-enedioate
 related_synonym: 9-((R)-2-((bis(((isopropoxycarbonyl)oxy)methoxy)phosphinyl)methoxy)propyl)adenine fumarate;   Formula=C23H34N5O14P;   InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m1./s1;   InChIKey=VCMJCVGFSROFHV-WZGZYPNHSA-N;   SMILES=OC(=O)\\C=C\\C(O)=O.CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C;   TDF;   Viread;   tenofovir DF
 alt_id: MESH:D000068698
 xref: CAS:202138-50-9;   DrugBank:DB00300;   KEGG:D01982
 xref_mesh: MESH:D000068698
 xref: PMID:12064015;   PMID:15482138;   PMID:15669881;   PMID:18434949;   PMID:19372836;   PMID:22077579;   PMID:22210639;   PMID:22928893;   PMID:23466649;   Reaxys:9831556;   Wikipedia:Tenofovir


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Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      application 457
        pro-agent 17
          prodrug 17
            tenofovir disoproxil fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbohydrates and carbohydrate derivatives 48
                                    carbohydrate 48
                                      carbohydrate derivative 43
                                        glycosyl compound 34
                                          N-glycosyl compound 5
                                            nucleoside analogue 0
                                              tenofovir (anhydrous) 0
                                                tenofovir disoproxil 0
                                                  tenofovir disoproxil fumarate 0
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