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ONTOLOGY REPORT - ANNOTATIONS


Term:prednisolone-16alpha-carboxylic acid
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Accession:CHEBI:47889 term browser browse the term
Definition:A prednisolone-16-carboxylic acid that has formula C22H28O7.
Synonyms:exact_synonym: 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16alpha-carboxylic acid
 related_synonym: (11beta,16alpha)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylic acid;   Formula=C22H28O7;   InChI=1S/C22H28O7/c1-20-6-5-12(24)7-11(20)3-4-13-14-8-15(19(27)28)22(29,17(26)10-23)21(14,2)9-16(25)18(13)20/h5-7,13-16,18,23,25,29H,3-4,8-10H2,1-2H3,(H,27,28)/t13-,14-,15-,16-,18+,20-,21-,22-/m0/s1;   InChIKey=KDXQRWCHLWOYTA-YENSXTRCSA-N;   SMILES=[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])C[C@@H](C(O)=O)[C@]1(O)C(=O)CO
 xref: Beilstein:6750179 "Beilstein"


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Term Annotations click to browse term
  CHEBI ontology 19754
    role 19701
      biological role 19700
        xenobiotic 18343
          prednisolone 230
            prednisolone-16-carboxylic acid 0
              prednisolone-16alpha-carboxylic acid 0
                methyl prednisolone-16alpha-carboxylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      carbon group element atom 19528
                        carbon atom 19517
                          organic molecular entity 19517
                            organic group 18422
                              organic divalent group 18414
                                organodiyl group 18414
                                  carbonyl group 18303
                                    carbonyl compound 18303
                                      ketone 15927
                                        oxo steroid 9286
                                          3-oxo steroid 8811
                                            3-oxo-Delta(4) steroid 7939
                                              progesterone 2712
                                                Delta(1)-progesterone 235
                                                  prednisolone 230
                                                    prednisolone-16-carboxylic acid 0
                                                      prednisolone-16alpha-carboxylic acid 0
                                                        methyl prednisolone-16alpha-carboxylate 0
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