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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: 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 7:25,733,471...25,829,440
Ensembl chr 7:23,846,122...23,942,047 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        xenobiotic 18753
          rosuvastatin 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organochalcogen compound 19297
                                organooxygen compound 19215
                                  carbon oxoacid 18693
                                    carboxylic acid 18690
                                      monocarboxylic acid 18028
                                        fatty acid 16861
                                          unsaturated fatty acid 1691
                                            monounsaturated fatty acid 620
                                              heptenoic acid 1
                                                hept-6-enoic acid 1
                                                  rosuvastatin 1
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