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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:simvastatin hydroxy acid
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Accession:CHEBI:169041 term browser browse the term
Synonyms:exact_synonym: (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
 related_synonym: Formula=C25H40O6;   InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1;   InChIKey=XWLXKKNPFMNSFA-HGQWONQESA-N;   SMILES=O([C@@H]1[C@@]2([C@H]([C@H](C=CC2=C[C@@H](C1)C)C)CC[C@@H](O)C[C@@H](O)CC(O)=O)[H])C(=O)C(CC)(C)C
 xref: CAS:121009-77-6;   Chemspider:58263;   DrugBank:DB14714;   HMDB:HMDB0061047;   KEGG:C21581
 xref_mesh: MESH:C063287
 xref: PDBeChem:SIM



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simvastatin hydroxy acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb11 ATP binding cassette subfamily B member 11 multiple interactions ISO simvastatin acid inhibits the reaction [ABCB11 protein affects the import of Taurocholic Acid] CTD PMID:15901796 NCBI chr 3:54,016,854...54,112,797
Ensembl chr 3:54,017,127...54,112,730
JBrowse link
G Slco3a1 solute carrier organic anion transporter family, member 3a1 multiple interactions
decreases expression
increases uptake
ISO Cyclosporine promotes the reaction [SLCO3A1 protein results in increased uptake of simvastatin acid]; estrone sulfate promotes the reaction [SLCO3A1 protein results in increased uptake of simvastatin acid]; Indican promotes the reaction [SLCO3A1 protein results in increased uptake of simvastatin acid]; Penicillin G promotes the reaction [SLCO3A1 protein results in increased uptake of simvastatin acid]; simvastatin acid affects the reaction [SLCO3A1 protein results in increased uptake of Fluorescein]
simvastatin acid results in decreased expression of SLCO3A1 protein
CTD PMID:28887287 NCBI chr 1:128,106,232...128,388,043
Ensembl chr 1:128,106,228...128,387,925
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      group 19849
        inorganic group 19428
          oxo group 18929
            organic oxo compound 18929
              carbonyl compound 18929
                simvastatin hydroxy acid 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbonyl compound 18929
                                    simvastatin hydroxy acid 2
paths to the root