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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


show annotations for term's descendants           Sort by:
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 19808
    chemical entity 19806
      group 19765
        inorganic group 19360
          oxo group 18869
            organic oxo compound 18869
              carbonyl compound 18869
                simvastatin hydroxy acid 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbonyl compound 18869
                                    simvastatin hydroxy acid 2
paths to the root