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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 19899
    chemical entity 19897
      molecular entity 19897
        ion 17101
          organic ion 11455
            organic anion 6858
              organophosphonate oxoanion 1
                adefovir(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    main group molecular entity 19835
                      p-block molecular entity 19835
                        carbon group molecular entity 19776
                          organic molecular entity 19772
                            organic ion 11455
                              organic anion 6858
                                organophosphonate oxoanion 1
                                  adefovir(1-) 0
paths to the root