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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:(1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
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Accession:CHEBI:139028 term browser browse the term
Definition:A hydroxycalciol that is a synthetic analogue of vitamin D3 which contains an oxolane ring and exhibits weak vitamin D receptor agonist activity
Synonyms:exact_synonym: (1R,3R,5Z,7E,9xi,20S)-20-[(2R,5S)-5-(2-hydroxypropan-2-yl)oxolan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol
 related_synonym: Formula=C28H44O4;   InChI=1S/C28H44O4/c1-17-20(15-21(29)16-24(17)30)9-8-19-7-6-14-28(5)22(10-11-23(19)28)18(2)25-12-13-26(32-25)27(3,4)31/h8-9,18,21-26,29-31H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23?,24+,25+,26-,28+/m0/s1;   InChIKey=DDIWZQGTNVZJGO-AOWJSLKNSA-N;   SMILES=C1[C@]2([C@](/C(=C/C=C/3\\C([C@@H](C[C@@H](C3)O)O)=C)/CC1)(CC[C@@]2([C@H](C)[C@]4(CC[C@](O4)(C(C)(C)O)[H])[H])[H])[H])C
 xref: PMID:28399453


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  CHEBI ontology 19898
    role 19869
      biological role 19867
        pharmacological role 19102
          agonist 18635
            vitamin D receptor agonist 0
              (1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
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  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19724
                              organic cyclic compound 19516
                                organic polycyclic compound 17315
                                  steroid 14736
                                    hydroxy steroid 14484
                                      hydroxy seco-steroid 2710
                                        vitamin D 2702
                                          D3 vitamins 2649
                                            calciol 2649
                                              hydroxycalciol 2501
                                                (1S,3R)-dihydroxy-(20S)-[(5'S)-(2"-hydroxy-2"-propyl)-(2'R)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
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