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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:ravuconazole
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Accession:CHEBI:143825 term browser browse the term
Definition:A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4)
Synonyms:exact_synonym: 4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
 related_synonym: BMS 207147;   BMS-20714;   ER-30346;   Formula=C22H17F2N5OS;   InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1;   InChIKey=OPAHEYNNJWPQPX-RCDICMHDSA-N;   SMILES=C=1C(=C(C=C(C1)F)F)[C@@]([C@@H](C)C2=NC(=CS2)C=3C=CC(=CC3)C#N)(O)CN4C=NC=N4;   ravuconazol;   ravuconazolum
 xref: CAS:182760-06-1;   DrugBank:DB06440;   HMDB:HMDB0257114;   KEGG:D02556;   PMCID:PMC105592;   PMID:10566016;   PMID:11709320;   PMID:18548464;   PMID:20112166;   PMID:20404124;   PMID:22652223;   PMID:22935068;   PMID:24071640;   PMID:24945848;   PMID:25742996;   PMID:27904057;   PMID:28553114;   PMID:29768713;   PMID:29982734;   PMID:30733479;   PMID:31769120;   PMID:31773164;   PMID:31875604;   PMID:32115444;   PMID:32423960;   PMID:32571811;   PMID:33609301;   PMID:34075394;   PMID:34375652;   PMID:35120131;   PMID:35398930;   PMID:8891121;   PMID:9527778;   Patent:US2011087030;   Patent:WO2011042827;   Wikipedia:Ravuconazole


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 1271
    chemical entity 1271
      group 1265
        pseudohalo group 2
          cyano group 2
            nitrile 2
              ravuconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 1271
    subatomic particle 1271
      composite particle 1271
        hadron 1271
          baryon 1271
            nucleon 1271
              atomic nucleus 1271
                atom 1271
                  main group element atom 1264
                    p-block element atom 1264
                      carbon group element atom 1254
                        carbon atom 1253
                          organic molecular entity 1253
                            organic molecule 1242
                              organic cyclic compound 1226
                                organic heterocyclic compound 419
                                  heteroarene 199
                                    monocyclic heteroarene 173
                                      azole 173
                                        thiazoles 158
                                          1,3-thiazoles 158
                                            ravuconazole 0
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