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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:rosuvastatin(1-)
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Accession:CHEBI:77313 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate
 related_synonym: Formula=C22H27FN3O6S;   InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+/t16-,17-/m1/s1;   InChIKey=BPRHUIZQVSMCRT-VEUZHWNKSA-M;   SMILES=CC(C)c1nc(nc(-c2ccc(F)cc2)c1\\C=C\\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O;   rosuvastatin anion
 cyclic_relationship: is_conjugate_base_of CHEBI:38545


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    chemical entity 501
      molecular entity 494
        ion 32
          anion 27
            organic anion 8
              carboxylic acid anion 6
                monocarboxylic acid anion 3
                  hydroxy monocarboxylic acid anion 3
                    rosuvastatin(1-) 0
                      rosuvastatin calcium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic ion 19
                              organic anion 8
                                carboxylic acid anion 6
                                  monocarboxylic acid anion 3
                                    hydroxy monocarboxylic acid anion 3
                                      rosuvastatin(1-) 0
                                        rosuvastatin calcium 0
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