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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 EXP simvastatin acid inhibits the reaction [ABCB11 protein affects the import of Taurocholic Acid] CTD PMID:15901796 NCBI chr 2:168,915,468...169,031,396
Ensembl chr 2:168,915,498...169,031,324
JBrowse link
G SLCO3A1 solute carrier organic anion transporter family member 3A1 multiple interactions
decreases expression
increases uptake
EXP 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 chr15:91,853,708...92,172,435
Ensembl chr15:91,853,708...92,172,435
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 25196
    chemical entity 25168
      group 25077
        inorganic group 23658
          oxo group 22915
            organic oxo compound 22915
              carbonyl compound 22915
                simvastatin hydroxy acid 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 25196
    subatomic particle 25159
      composite particle 25159
        hadron 25159
          baryon 25159
            nucleon 25159
              atomic nucleus 25159
                atom 25159
                  main group element atom 25043
                    p-block element atom 25043
                      carbon group element atom 24618
                        carbon atom 24585
                          organic molecular entity 24585
                            organic group 22944
                              organic divalent group 22922
                                organodiyl group 22922
                                  carbonyl group 22915
                                    carbonyl compound 22915
                                      simvastatin hydroxy acid 2
paths to the root