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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:calcitriol
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Accession:CHEBI:17823 term browser browse the term
Definition:A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
Synonyms:related_synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol;   (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol;   (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol;   1,25-DHCC;   1-alpha-25-Dihydroxyvitamin D3;   1alpha,25(OH)2D3;   1alpha,25-dihydroxycholecalciferol;   1alpha,25-dihydroxyvitamin D3;   5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL;   Calcijex;   Decostriol;   Formula=C27H44O3;   InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1;   InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-N;   Rocaltrol;   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)CCCC(C)(C)O;   calcitriolum
 alt_id: CHEBI:13932;   CHEBI:19209;   CHEBI:3307;   CHEBI:46435
 xref: Beilstein:2227647;   CAS:32222-06-3;   DrugBank:DB00136;   Drug_Central:466;   KEGG:C01673;   KEGG:D00129;   LIPID_MAPS_instance:LMST03020258
 xref_mesh: MESH:D002117
 xref: MetaCyc:CALCITRIOL;   PDBeChem:VDX;   PMID:10217585;   PMID:15928596;   PMID:19429426;   PMID:20599255;   PMID:22905919;   PMID:23103122;   PMID:23144765;   PMID:6687801;   Reaxys:2227647;   Wikipedia:Calcitriol


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24191
    role 24084
      biological role 24050
        immunomodulator 14961
          calcitriol 2504
            18-acetoxy-1alpha,25-dihydroxyvitamin D3 0
            1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 + 0
            1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 0
            AMCR277A 0
            AMCR277B 0
            calcitriol 25-O-(beta-D-glucuronate) 0
            calcitriol 25-O-(beta-D-glucuronide) 0
            calcitriol 26,23-lactone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24191
    subatomic particle 24144
      composite particle 24144
        hadron 24144
          baryon 24144
            nucleon 24144
              atomic nucleus 24144
                atom 24144
                  main group element atom 23976
                    p-block element atom 23976
                      carbon group element atom 23703
                        carbon atom 23660
                          organic molecular entity 23660
                            organic molecule 23528
                              organic cyclic compound 22619
                                organic polycyclic compound 17650
                                  steroid 13538
                                    hydroxy steroid 13042
                                      hydroxy seco-steroid 2757
                                        vitamin D 2752
                                          D3 vitamins 2701
                                            calciol 2701
                                              hydroxycalciol 2559
                                                calcitriol 2504
                                                  18-acetoxy-1alpha,25-dihydroxyvitamin D3 0
                                                  1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 + 0
                                                  1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 0
                                                  AMCR277A 0
                                                  AMCR277B 0
                                                  calcitriol 25-O-(beta-D-glucuronate) 0
                                                  calcitriol 25-O-(beta-D-glucuronide) 0
                                                  calcitriol 26,23-lactone 0
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