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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:alfacalcidol
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Accession:CHEBI:31186 term browser browse the term
Definition:A member of the class of D3 vitamins that is calciol in which the hydrogen at the 1alpha position is replaced by a hydroxy group. It is an active metabolite of cholecalciferol, which performs important functions in regulation of the calcium balance and the bone metabolism.
Synonyms:exact_synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3-diol
 related_synonym: (5Z,7E)-9,10-seco-5,7,10(19)-cholestatrien-1alpha,3beta-diol;   1alpha-hydroxy-vitamin D3;   1alpha-hydroxycholecalciferol;   1alpha-hydroxyvitamin D3;   9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta-diol;   Alsiodol;   Formula=C27H44O2;   InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1;   InChIKey=OFHCOWSQAMBJIW-AVJTYSNKSA-N;   SMILES=CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C;   alfacalcidolum
 xref: CAS:41294-56-8;   DrugBank:DB01436;   Drug_Central:130;   HMDB:HMDB0015504;   KEGG:D01518
 xref_mesh: MESH:C008088
 xref: PMID:17438884;   PMID:17668216;   PMID:20827552;   PMID:22527138;   PMID:22607568;   PMID:24119718;   PMID:24414552;   Reaxys:2064794


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  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            bone density conservation agent 0
              alfacalcidol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      hydroxy seco-steroid 0
                                        vitamin D 0
                                          D3 vitamins 0
                                            calciol 0
                                              hydroxycalciol 0
                                                alfacalcidol 0
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