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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      molecular entity 25991
        polyatomic entity 25876
          molecule 25277
            cyclic compound 24275
              bicyclic compound 18648
                carbobicyclic compound 5970
                  naphthalenes 3836
                    tolrestat 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                carbocyclic compound 22040
                                  carbopolycyclic compound 19842
                                    carbobicyclic compound 5970
                                      naphthalenes 3836
                                        tolrestat 0
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