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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:17,21-dihydroxy-5beta-pregnane-3,11,20-trione
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Accession:CHEBI:18093 term browser browse the term
Definition:A 4,5-dihydrocortisone that has beta- configuration at position 5.
Synonyms:related_synonym: 17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione;   4,5beta-Dihydrocortisone;   5-dihydrocortisone;   5beta-Pregnane-17alpha,21-diol-3,11,20-trione;   Formula=C21H30O5;   InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12,14-15,18,22,26H,3-11H2,1-2H3/t12-,14+,15+,18-,19+,20+,21+/m1/s1;   InChIKey=YCLWEYIBFOLMEM-FNLRALKVSA-N;   SMILES=[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2
 alt_id: CHEBI:11927;   CHEBI:1753;   CHEBI:20277;   CHEBI:785
 xref: Beilstein:3222844;   CAS:68-54-2;   KEGG:C05469;   LIPID_MAPS_instance:LMST02030095
 xref_mesh: MESH:C045993


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    chemical entity 19872
      group 19825
        organic group 18977
          3-oxo-Delta(4)-steroid group 9163
            3-oxo-Delta(4) steroid 9163
              cortisone 25
                4,5-dihydrocortisone 0
                  17,21-dihydroxy-5beta-pregnane-3,11,20-trione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbonyl compound 18908
                                    ketone 17258
                                      oxo steroid 10532
                                        3-oxo steroid 9922
                                          3-oxo-Delta(4) steroid 9163
                                            cortisone 25
                                              4,5-dihydrocortisone 0
                                                17,21-dihydroxy-5beta-pregnane-3,11,20-trione 0
paths to the root