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ONTOLOGY REPORT - ANNOTATIONS


Term:rosuvastatin
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Accession:CHEBI:38545 term browser browse the term
Definition:A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer).
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-enoic acid
 related_synonym: (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid;   (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid;   Formula=C22H28FN3O6S;   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)/b10-9+/t16-,17-/m1/s1;   InChIKey=BPRHUIZQVSMCRT-VEUZHWNKSA-N;   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
 xref: Beilstein:9670765 "Beilstein";   CAS:287714-41-4 "ChemIDplus";   DrugBank:DB01098;   Drug_Central:2406 "DrugCentral";   HMDB:HMDB0015230;   KEGG:D08492
 xref_mesh: MESH:C422923
 xref: PMID:17970755 "Europe PMC";   PMID:18509206 "Europe PMC";   PMID:19724024 "Europe PMC";   PMID:19956889 "Europe PMC";   PMID:23806820 "Europe PMC";   PMID:23881596 "Europe PMC";   PMID:23944632 "Europe PMC";   PMID:24072337 "Europe PMC";   PMID:24076283 "Europe PMC";   PMID:24076297 "Europe PMC";   PMID:24156555 "Europe PMC";   PMID:24163149 "Europe PMC";   PMID:24230979 "Europe PMC";   PMID:24253250 "Europe PMC";   PMID:24259612 "Europe PMC";   PMID:24304551 "Europe PMC";   PMID:24333476 "Europe PMC";   PMID:24353409 "Europe PMC";   PMID:24410968 "Europe PMC";   PMID:24417785 "Europe PMC";   PMID:24434545 "Europe PMC";   PMID:24440231 "Europe PMC";   PMID:24440960 "Europe PMC";   PMID:24444439 "Europe PMC";   PMID:24452083 "Europe PMC";   PMID:24456217 "Europe PMC";   PMID:24467235 "Europe PMC";   Patent:US2013035316;   Reaxys:9670765 "Reaxys";   Wikipedia:Rosuvastatin
 cyclic_relationship: is_conjugate_acid_of CHEBI:77313


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Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      biological role 19661
        xenobiotic 18261
          rosuvastatin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            organic group 18407
                              organic divalent group 18397
                                organodiyl group 18397
                                  carbonyl group 18285
                                    carbonyl compound 18285
                                      carboxylic acid 17940
                                        monocarboxylic acid 17260
                                          fatty acid 15814
                                            unsaturated fatty acid 894
                                              monounsaturated fatty acid 398
                                                heptenoic acid 0
                                                  hept-6-enoic acid 0
                                                    rosuvastatin 0
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