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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:17,20-dihydroxypregn-4-en-3-one
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Accession:CHEBI:36726 term browser browse the term
Definition:A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and by hydroxy groups at the 17alpha and 20 positions.
Synonyms:related_synonym: 17alpha,20-dihydroxypregn-4-en-3-one;   Formula=C21H32O3;   InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1;   InChIKey=MASCESDECGBIBB-JAKCRWNRSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)O
 xref: Beilstein:5083960;   Reaxys:5083960


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(20R)-17,20-dihydroxypregn-4-en-3-one term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ar androgen receptor multiple interactions ISO 17 alpha,20 beta-dihydroxypregn-4-en-3-one inhibits the reaction [Metribolone results in increased activity of AR protein] CTD PMID:18324785 NCBI chr  X:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19932
    chemical entity 19930
      group 19888
        organic group 19017
          3-oxo-Delta(4)-steroid group 9174
            3-oxo-Delta(4) steroid 9174
              17,20-dihydroxypregn-4-en-3-one 1
                (20R)-17,20-dihydroxypregn-4-en-3-one 1
                (20S)-17,20-dihydroxypregn-4-en-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19932
    subatomic particle 19930
      composite particle 19930
        hadron 19930
          baryon 19930
            nucleon 19930
              atomic nucleus 19930
                atom 19930
                  main group element atom 19876
                    p-block element atom 19876
                      carbon group element atom 19816
                        carbon atom 19812
                          organic molecular entity 19812
                            heteroorganic entity 19559
                              organochalcogen compound 19317
                                organooxygen compound 19231
                                  carbonyl compound 18945
                                    ketone 17194
                                      oxo steroid 10546
                                        3-oxo steroid 9933
                                          3-oxo-Delta(4) steroid 9174
                                            17,20-dihydroxypregn-4-en-3-one 1
                                              (20R)-17,20-dihydroxypregn-4-en-3-one 1
                                              (20S)-17,20-dihydroxypregn-4-en-3-one 0
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