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ONTOLOGY REPORT - ANNOTATIONS


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hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.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 "Beilstein";   CAS:67-97-0 "ChemIDplus";   CAS:67-97-0 "KEGG COMPOUND";   CAS:67-97-0 "NIST Chemistry WebBook";   DrugBank:DB00169;   Drug_Central:2840 "DrugCentral";   Gmelin:1267613 "Gmelin";   HMDB:HMDB0000876;   KEGG:C05443;   KEGG:D00188;   LIPID_MAPS_instance:LMST03020000 "LIPID MAPS";   LIPID_MAPS_instance:LMST03020001 "LIPID MAPS"
 xref_mesh: MESH:D002762
 xref: PDBeChem:VD3;   PMID:15876428 "Europe PMC";   PMID:17156784 "Europe PMC";   PMID:19817701 "Europe PMC";   PMID:23964472 "Europe PMC";   PMID:9627702 "Europe PMC";   PPDB:160;   Reaxys:2339331 "Reaxys";   Wikipedia:Cholecalciferol


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19654
    role 19598
      biological role 19596
        molecular messenger 17921
          hormone 17726
            steroid hormone 7724
              calciol 2591
                (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                1alpha,23(S),25-trihydroxyvitamin D3 0
                1alpha,2beta,25-trihydroxy vitamin D3 0
                alfacalcidol 24
                hydroxycalciol + 2454
                oxocalciol + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            organic molecule 19327
                              organic cyclic compound 19076
                                organic polycyclic compound 16018
                                  steroid 12762
                                    hydroxy steroid 12353
                                      hydroxy seco-steroid 2643
                                        vitamin D 2639
                                          D3 vitamins 2591
                                            calciol 2591
                                              (24R)-1alpha,24-dihydroxy-22-oxavitamin D3 0
                                              1alpha,23(S),25-trihydroxyvitamin D3 0
                                              1alpha,2beta,25-trihydroxy vitamin D3 0
                                              alfacalcidol 24
                                              hydroxycalciol + 2454
                                              oxocalciol + 0
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