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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:6alpha-hydroxyprednisone
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Accession:CHEBI:180929 term browser browse the term
Definition:A glucocorticoid that is prednisone carrying a hydroxy group at the 6alpha position. It is a metabolite of prednisone found in human urine.
Synonyms:exact_synonym: 6alpha,17,21-trihydroxypregna-1,4-diene-3,11,20-trione
 related_synonym: (1R,3aS,3bS,5S,9aR,9bS,11aS)-1,5-dihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione;   Formula=C21H26O6;   InChI=1S/C21H26O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15,18,22,24,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,18+,19-,20-,21-/m0/s1;   InChIKey=RBABUXAIODUPQG-ZPSUVKRCSA-N;   SMILES=[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@H](O)C2=CC(=O)C=C[C@]12C
 xref: PMID:25800201


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Term Annotations click to browse term
  CHEBI ontology 19898
    role 19868
      application 19714
        anti-inflammatory agent 16684
          anti-inflammatory drug 14974
            prednisone 63
              6alpha-hydroxyprednisone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            heteroorganic entity 19528
                              organochalcogen compound 19290
                                organooxygen compound 19206
                                  carbonyl compound 18929
                                    ketone 17272
                                      oxo steroid 10542
                                        3-oxo steroid 9929
                                          3-oxo-Delta(1) steroid 5227
                                            3-oxo-Delta(1),Delta(4)-steroid 5227
                                              prednisone 63
                                                6alpha-hydroxyprednisone 0
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