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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:63,104,771...63,273,934
Ensembl chr  X:63,104,771...63,273,925
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19800
    chemical entity 19800
      group 19722
        organic group 18718
          3-oxo-Delta(4)-steroid group 9122
            3-oxo-Delta(4) steroid 9122
              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 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      ketone 16957
                                        oxo steroid 10282
                                          3-oxo steroid 9887
                                            3-oxo-Delta(4) steroid 9122
                                              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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