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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hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group.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 19669
    role 19613
      biological role 19611
        molecular messenger 17942
          hormone 17750
            steroid hormone 7723
              calciol 2590
                (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 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic molecule 19343
                              organic cyclic compound 19093
                                organic polycyclic compound 16028
                                  steroid 12767
                                    hydroxy steroid 12357
                                      hydroxy seco-steroid 2638
                                        vitamin D 2634
                                          D3 vitamins 2590
                                            calciol 2590
                                              (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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