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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:calciol
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Accession:CHEBI:28940 term browser browse the term
Definition:A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.
Synonyms:related_synonym: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL;   (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol;   (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol;   CC;   Cholecalciferol;   Delta-D;   Formula=C27H44O;   InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1;   InChIKey=QYSXJUFSXHHAJI-YRZJJWOYSA-N;   SMILES=[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C;   activated 7-dehydrocholesterol;   colecalciferol;   oleovitamin D3;   vitamin D3
 alt_id: CHEBI:10008;   CHEBI:23170;   CHEBI:46283
 xref: Beilstein:2339331;   CAS:67-97-0;   DrugBank:DB00169;   Drug_Central:2840;   Gmelin:1267613;   HMDB:HMDB0000876;   KEGG:C05443;   KEGG:D00188;   LIPID_MAPS_instance:LMST03020000;   LIPID_MAPS_instance:LMST03020001
 xref_mesh: MESH:D002762
 xref: PDBeChem:VD3;   PMID:15876428;   PMID:17156784;   PMID:19817701;   PMID:23964472;   PMID:9627702;   PPDB:160;   Reaxys:2339331;   Wikipedia:Cholecalciferol


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19821
        role 19769
          biological role 19769
            molecular messenger 18316
              hormone 18081
                steroid hormone 7802
                  calciol 2621
                    (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                    1alpha,23(S),25-trihydroxyvitamin D3 0
                    1alpha,2beta,25-trihydroxy vitamin D3 0
                    5,6-trans-vitamin D3 0
                    alfacalcidol 25
                    hydroxycalciol + 2476
                    oxocalciol + 0
                    tacalcitol 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
                                                  (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                                                  1alpha,23(S),25-trihydroxyvitamin D3 0
                                                  1alpha,2beta,25-trihydroxy vitamin D3 0
                                                  5,6-trans-vitamin D3 0
                                                  alfacalcidol 25
                                                  hydroxycalciol + 2476
                                                  oxocalciol + 0
                                                  tacalcitol 0
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