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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
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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;   CAS:287714-41-4;   DrugBank:DB01098;   Drug_Central:2406;   HMDB:HMDB0015230;   KEGG:D08492
 xref_mesh: MESH:C422923
 xref: PMID:17970755;   PMID:18509206;   PMID:19724024;   PMID:19956889;   PMID:23806820;   PMID:23881596;   PMID:23944632;   PMID:24072337;   PMID:24076283;   PMID:24076297;   PMID:24156555;   PMID:24163149;   PMID:24230979;   PMID:24253250;   PMID:24259612;   PMID:24304551;   PMID:24333476;   PMID:24353409;   PMID:24410968;   PMID:24417785;   PMID:24434545;   PMID:24440231;   PMID:24440960;   PMID:24444439;   PMID:24452083;   PMID:24456217;   PMID:24467235;   Patent:US2013035316;   Reaxys:9670765;   Wikipedia:Rosuvastatin
 cyclic_relationship: is_conjugate_acid_of CHEBI:77313



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rosuvastatin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Nr1h4 nuclear receptor subfamily 1, group H, member 4 increases expression EXP rosuvastatin increases Nr1h4 mRNA expression in rat kidney and liver RGD PMID:30308196 RGD:15042865 NCBI chr 7:23,846,122...23,942,085
Ensembl chr 7:23,846,122...23,942,047
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19757
    role 19730
      biological role 19728
        xenobiotic 18621
          rosuvastatin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19757
    subatomic particle 19755
      composite particle 19755
        hadron 19755
          baryon 19755
            nucleon 19755
              atomic nucleus 19755
                atom 19755
                  main group element atom 19703
                    p-block element atom 19703
                      carbon group element atom 19649
                        carbon atom 19645
                          organic molecular entity 19645
                            organic group 18859
                              organic divalent group 18845
                                organodiyl group 18845
                                  carbonyl group 18809
                                    carbonyl compound 18809
                                      carboxylic acid 18530
                                        monocarboxylic acid 17860
                                          fatty acid 16515
                                            unsaturated fatty acid 969
                                              monounsaturated fatty acid 452
                                                heptenoic acid 1
                                                  hept-6-enoic acid 1
                                                    rosuvastatin 1
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