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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:pitavastatin(1-)
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Accession:CHEBI:71260 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of pitavastatin, obtained by deprotonation of the carboxy group.
Synonyms:exact_synonym: (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
 related_synonym: (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate;   Formula=C25H23FNO4;   InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1;   InChIKey=VGYFMXBACGZSIL-MCBHFWOFSA-M;   SMILES=O[C@H](C[C@H](O)\\C=C\\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O;   pitavastatin cation
 xref: CAS:147511-69-1;   KEGG:C13334
 xref_mesh: MESH:C108475
 xref: Reaxys:7952950
 cyclic_relationship: is_conjugate_base_of CHEBI:32020


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5067
    chemical entity 5067
      molecular entity 5066
        ion 172
          anion 114
            organic anion 20
              carboxylic acid anion 18
                monocarboxylic acid anion 7
                  hydroxy monocarboxylic acid anion 0
                    pitavastatin(1-) 0
                      pitavastatin calcium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    p-block element atom 5025
                      carbon group element atom 4942
                        carbon atom 4941
                          organic molecular entity 4941
                            organic ion 109
                              organic anion 20
                                carboxylic acid anion 18
                                  monocarboxylic acid anion 7
                                    hydroxy monocarboxylic acid anion 0
                                      pitavastatin(1-) 0
                                        pitavastatin calcium 0
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