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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 19808
    role 19784
      biological role 19782
        immunomodulator 15051
          calcitriol 2430
            AMCR277A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            organic molecule 19655
                              organic cyclic compound 19468
                                organic polycyclic compound 17225
                                  steroid 14678
                                    hydroxy steroid 14425
                                      hydroxy seco-steroid 2701
                                        vitamin D 2696
                                          D3 vitamins 2643
                                            calciol 2643
                                              hydroxycalciol 2492
                                                calcitriol 2430
                                                  AMCR277A 0
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