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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:23(S),25-dihydroxy-24-oxovitamin D3
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Accession:CHEBI:90980 term browser browse the term
Definition:A hydroxycalciol that is 25-hydroxyvitamin D3 carrying an additional hydroxy group at position 23 (with 23S-configuration) and an oxo group at position 24. An intermediate in the degradation pathway of 25-OH-vitamin D3.
Synonyms:exact_synonym: (3S,5Z,7E,23S)-3,23,25-trihydroxy-9,10-secocholesta-5,7,10-trien-24-one
 related_synonym: 23S,25-dihydroxy-24-oxocholecalciferol;   24-oxo-23S,25-(OH)2D3;   Formula=C27H42O4;   InChI=1S/C27H42O4/c1-17-8-11-21(28)16-20(17)10-9-19-7-6-14-27(5)22(12-13-23(19)27)18(2)15-24(29)25(30)26(3,4)31/h9-10,18,21-24,28-29,31H,1,6-8,11-16H2,2-5H3/b19-9+,20-10-/t18-,21+,22-,23+,24+,27-/m1/s1;   InChIKey=LYVJVKJTSXESPC-JDHDJSQBSA-N;   SMILES=C1[C@]2([C@](/C(=C/C=C/3\\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@H](C)C[C@@H](C(C(C)(C)O)=O)O)[H])[H])C
 xref: PMID:11012668;   PMID:8679605;   Reaxys:8812782



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19915
    role 19885
      biological role 19883
        molecular messenger 18691
          hormone 18512
            steroid hormone 7892
              calciol 2644
                hydroxycalciol 2491
                  23(S),25-dihydroxy-24-oxovitamin D3 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19915
    subatomic particle 19913
      composite particle 19895
        hadron 19895
          baryon 19913
            nucleon 19895
              atomic nucleus 19913
                atom 19895
                  main group element atom 19852
                    p-block element atom 19834
                      carbon group element atom 19774
                        carbon atom 19770
                          organic molecular entity 19770
                            organic molecule 19722
                              organic cyclic compound 19529
                                organic polycyclic compound 17289
                                  steroid 14709
                                    hydroxy steroid 14470
                                      hydroxy seco-steroid 2702
                                        vitamin D 2697
                                          D3 vitamins 2643
                                            calciol 2644
                                              hydroxycalciol 2491
                                                23(S),25-dihydroxy-24-oxovitamin D3 0
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