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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:AMCR277A
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Accession:CHEBI:139026 term browser browse the term
Definition:A hydroxycalciol that is calcitriol which has undergone formal oxidative coupling at positions 20 and 23 to the hydroxy group and methyl group, respectively, of methanol to afford the corresponding oxolane ring (the 20S,23S stereoisomer). It is a superagonist of the vitamin D nuclear receptor in vitro, but is as calcemic in vivo as the natural ligand.
Synonyms:exact_synonym: (1S,3R,5Z,7E,23S)-23-(2-hydroxy-2-methylpropyl)-20,24-epoxy-9,10-secochola-5,7,10-triene-1,3-diol
 related_synonym: Formula=C28H44O4;   InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22+,23-,24-,25-,27-,28-/m0/s1;   InChIKey=QFEREDUWILIRPI-VCQGKADLSA-N;   SMILES=C\\1([C@H](C[C@@H](C/C1=C/C=C/2\\CCC[C@]3([C@]2(CC[C@@]3([C@]4(C)C[C@@H](CO4)CC(O)(C)C)[H])[H])C)O)O)=C
 xref: PMID:18420145;   PMID:20070104;   PMID:24936188;   Reaxys:12849620


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      biological role 19852
        immunomodulator 15081
          calcitriol 2429
            AMCR277A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            organic molecule 19737
                              organic cyclic compound 19526
                                organic polycyclic compound 17311
                                  steroid 14705
                                    hydroxy steroid 14469
                                      hydroxy seco-steroid 2703
                                        vitamin D 2698
                                          D3 vitamins 2643
                                            calciol 2645
                                              hydroxycalciol 2493
                                                calcitriol 2429
                                                  AMCR277A 0
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