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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 19800
    role 19751
      biological role 19751
        xenobiotic 18436
          rosuvastatin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        monocarboxylic acid 17622
                                          fatty acid 16011
                                            unsaturated fatty acid 957
                                              monounsaturated fatty acid 453
                                                heptenoic acid 1
                                                  hept-6-enoic acid 1
                                                    rosuvastatin 1
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