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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 19922
        role 19894
          biological role 19864
            immunomodulator 15057
              calcitriol 2429
                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 19922
        subatomic particle 19892
          composite particle 19892
            hadron 19920
              baryon 19892
                nucleon 19920
                  atomic nucleus 19892
                    atom 19892
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19805
                            carbon atom 19802
                              organic molecular entity 19775
                                organic molecule 19755
                                  organic cyclic compound 19545
                                    organic polycyclic compound 17272
                                      steroid 14707
                                        hydroxy steroid 14456
                                          hydroxy seco-steroid 2702
                                            vitamin D 2697
                                              D3 vitamins 2644
                                                calciol 2643
                                                  hydroxycalciol 2492
                                                    calcitriol 2429
                                                      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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