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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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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19821
        role 19769
          biological role 19769
            immunomodulator 14893
              calcitriol 2419
                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 19821
        subatomic particle 19819
          composite particle 19819
            hadron 19819
              baryon 19819
                nucleon 19819
                  atomic nucleus 19819
                    atom 19819
                      main group element atom 19716
                        p-block element atom 19716
                          carbon group element atom 19640
                            carbon atom 19630
                              organic molecular entity 19630
                                organic molecule 19569
                                  organic cyclic compound 19360
                                    organic polycyclic compound 16538
                                      steroid 13057
                                        hydroxy steroid 12658
                                          hydroxy seco-steroid 2678
                                            vitamin D 2673
                                              D3 vitamins 2621
                                                calciol 2621
                                                  hydroxycalciol 2476
                                                    calcitriol 2419
                                                      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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