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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:tolrestat
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Accession:CHEBI:48549 term browser browse the term
Definition:A naphthalene that has formula C16H14F3NO3S.
Synonyms:exact_synonym: N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
 related_synonym: Alredase;   Formula=C16H14F3NO3S;   InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22);   InChIKey=LUBHDINQXIHVLS-UHFFFAOYSA-N;   N-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-N-methylglycine;   N-{[6-methoxy-5-(trifluoromethyl)-1-naphthyl]carbonothioyl}-N-methylglycine;   SMILES=COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O;   tolrestatum
 alt_id: CHEBI:46009;   CHEBI:9621
 xref: Beilstein:4208277;   CAS:82964-04-3;   DrugBank:DB02383;   Drug_Central:2704;   KEGG:C01621;   KEGG:D02323
 xref_mesh: MESH:C040550
 xref: PDBeChem:TOL;   Patent:EP59596;   Wikipedia:Tolrestat



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tolrestat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akr1b8 aldo-keto reductase family 1, member B8 decreases activity EXP tolrestat results in decreased activity of AKR1B8 protein CTD PMID:18845131 NCBI chr 4:62,997,241...63,009,815
Ensembl chr 4:62,997,161...63,010,097
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    chemical entity 20055
      molecular entity 20054
        polyatomic entity 19984
          molecule 19845
            cyclic compound 19610
              bicyclic compound 17231
                carbobicyclic compound 5859
                  naphthalenes 3817
                    tolrestat 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            organic molecule 19822
                              organic cyclic compound 19575
                                carbocyclic compound 18521
                                  carbopolycyclic compound 17136
                                    carbobicyclic compound 5859
                                      naphthalenes 3817
                                        tolrestat 1
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