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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 20050
    role 20001
      biological role 20000
        xenobiotic 18623
          rosuvastatin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic acid 18556
                                        monocarboxylic acid 17740
                                          fatty acid 16146
                                            unsaturated fatty acid 955
                                              monounsaturated fatty acid 453
                                                heptenoic acid 1
                                                  hept-6-enoic acid 1
                                                    rosuvastatin 1
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