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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:tacalcitol
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Accession:CHEBI:32176 term browser browse the term
Definition:A hydroxy seco-steroid that is calciol which carries hydroxy groups at positions 1S and 24R. It is a vitamin D3 analog which is used for the treatment of psoriasis vulgaris in adults, especially on the scalp.
Synonyms:exact_synonym: (1S,3R,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-1,3,24-triol
 related_synonym: (1alpha,24R)-1,24-dihydroxyvitamin D3;   1-alpha,24(R)-Dihydroxyvitamin D3;   Bonalfa;   Formula=C27H44O3;   InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1;   InChIKey=BJYLYJCXYAMOFT-RSFVBTMBSA-N;   PRI 2191;   SMILES=[H][C@@]1(CC[C@@]2([H])\\C(CCC[C@]12C)=C\\C=C1\\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC[C@@H](O)C(C)C;   TV-02;   tacalcitolum
 xref: CAS:57333-96-7;   Chemspider:4446823;   DrugBank:DB13689;   Drug_Central:4727;   KEGG:C12919;   KEGG:D08554;   PMID:15187340;   PMID:15465107;   PMID:15781040;   PMID:17220548;   PMID:20807354;   PMID:21934605;   PMID:22011021;   PMID:24003293;   PMID:24707254;   PMID:24919507;   PMID:26511971;   PMID:27052200;   PMID:27552149;   PMID:28074522;   PMID:28602032;   PMID:29188283;   PMID:29575677;   PMID:29624812;   PMID:30503385;   PMID:30772447;   PMID:30923017;   PMID:31299390;   PMID:32257539;   PMID:32389738;   PMID:32447791;   PMID:8931867;   Wikipedia:Tacalcitol


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        pharmacological role 19122
          agonist 18640
            vitamin D receptor agonist 0
              tacalcitol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            organic molecule 19754
                              organic cyclic compound 19544
                                organic polycyclic compound 17271
                                  steroid 14723
                                    hydroxy steroid 14470
                                      hydroxy seco-steroid 2703
                                        vitamin D 2698
                                          D3 vitamins 2645
                                            calciol 2645
                                              tacalcitol 0
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