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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-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;   KEGG:D02556;   PMCID:PMC105592;   PMID:11709320;   PMID:18548464;   PMID:20112166;   PMID:20404124;   PMID:22935068;   PMID:24071640;   PMID:24945848;   PMID:25742996;   PMID:27904057;   PMID:29768713;   PMID:29982734;   PMID:30733479;   PMID:8891121;   PMID:9527778;   Patent:US2011087030;   Patent:WO2011042827;   Wikipedia:Ravuconazole



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    chemical entity 20088
      group 19990
        pseudohalo group 3909
          cyano group 3905
            nitrile 3909
              ravuconazole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic molecule 19856
                              organic cyclic compound 19612
                                organic heterocyclic compound 18824
                                  heteroarene 16628
                                    monocyclic heteroarene 13606
                                      azole 12836
                                        thiazoles 1746
                                          1,3-thiazoles 1171
                                            ravuconazole 0
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