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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 19918
    chemical entity 19916
      group 19875
        organic group 18995
          3-oxo-Delta(4)-steroid group 9176
            3-oxo-Delta(4) steroid 9176
              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 19918
    subatomic particle 19916
      composite particle 19916
        hadron 19916
          baryon 19916
            nucleon 19916
              atomic nucleus 19916
                atom 19916
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19811
                        carbon atom 19806
                          organic molecular entity 19806
                            organic group 18995
                              organic divalent group 18969
                                organodiyl group 18969
                                  carbonyl group 18922
                                    carbonyl compound 18922
                                      ketone 17210
                                        oxyketone 8903
                                          alpha-oxyketone 8903
                                            alpha-hydroxy ketone 8903
                                              primary alpha-hydroxy ketone 7794
                                                cortisone 25
                                                  4,5-dihydrocortisone 0
                                                    17,21-dihydroxy-5beta-pregnane-3,11,20-trione 0
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