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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,20alpha-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:67,656,253...67,828,998
Ensembl chr  X:67,656,253...67,829,026
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19773
    chemical entity 19773
      group 19690
        organic group 18603
          3-oxo-Delta(4)-steroid group 8410
            3-oxo-Delta(4) steroid 8410
              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 19773
    subatomic particle 19771
      composite particle 19771
        hadron 19771
          baryon 19771
            nucleon 19771
              atomic nucleus 19771
                atom 19771
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19583
                        carbon atom 19573
                          organic molecular entity 19573
                            organic group 18603
                              organic divalent group 18594
                                organodiyl group 18594
                                  carbonyl group 18507
                                    carbonyl compound 18507
                                      ketone 16828
                                        oxo steroid 9714
                                          3-oxo steroid 9271
                                            3-oxo-Delta(4) steroid 8410
                                              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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