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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:adefovir(1-)
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Accession:CHEBI:134512 term browser browse the term
Definition:A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Synonyms:exact_synonym: hydrogen {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate
 related_synonym: Formula=C8H11N5O4P;   InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)/p-1;   InChIKey=SUPKOOSCJHTBAH-UHFFFAOYSA-M;   SMILES=C1=2C(N=CN1CCOCP(O)([O-])=O)=C(N=CN2)N;   adefovir
 xref: PMID:15914676
 cyclic_relationship: is_conjugate_base_of CHEBI:2469


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5164
    chemical entity 5164
      molecular entity 5163
        ion 174
          organic ion 111
            organic anion 20
              organophosphonate oxoanion 0
                adefovir(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5164
    subatomic particle 5155
      composite particle 5155
        hadron 5155
          baryon 5155
            nucleon 5155
              atomic nucleus 5155
                atom 5155
                  main group element atom 5127
                    main group molecular entity 5126
                      p-block molecular entity 5124
                        carbon group molecular entity 5042
                          organic molecular entity 5041
                            organic ion 111
                              organic anion 20
                                organophosphonate oxoanion 0
                                  adefovir(1-) 0
paths to the root