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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'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3
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Accession:CHEBI:139029 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-[(2S,5R)-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-WKBHYAOGSA-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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Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      biological role 19883
        pharmacological role 19087
          agonist 18603
            vitamin D receptor agonist 0
              (1S,3R)-dihydroxy-(20S)-[(5'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19722
                              organic cyclic compound 19529
                                organic polycyclic compound 17289
                                  steroid 14709
                                    hydroxy steroid 14470
                                      hydroxy seco-steroid 2702
                                        vitamin D 2697
                                          D3 vitamins 2643
                                            calciol 2644
                                              hydroxycalciol 2491
                                                (1S,3R)-dihydroxy-(20S)-[(5'R)-(2"-hydroxy-2"-propyl)-(2'S)-tetrahydrofuryl]-22,23,24,25,26,27-hexanor-1alpha-hydroxyvitamin D3 0
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