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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:methyl prednisolone-16-carboxylate
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Accession:CHEBI:47886 term browser browse the term
Definition:A steroid acid ester that has formula C23H30O7.
Synonyms:exact_synonym: methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate
 related_synonym: Formula=C23H30O7;   InChI=1S/C23H30O7/c1-21-7-6-13(25)8-12(21)4-5-14-15-9-16(20(28)30-3)23(29,18(27)11-24)22(15,2)10-17(26)19(14)21/h6-8,14-17,19,24,26,29H,4-5,9-11H2,1-3H3/t14-,15-,16?,17-,19+,21-,22-,23-/m0/s1;   InChIKey=SNIXVWCOGOOOGH-ZIIXMLBZSA-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])CC(C(=O)OC)[C@]1(O)C(=O)CO;   methyl (11beta)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate
 xref: Beilstein:10733581


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19874
    role 19844
      biological role 19842
        xenobiotic 18722
          prednisolone 241
            prednisolone-16-carboxylic acid 0
              methyl prednisolone-16-carboxylate 0
                methyl prednisolone-16alpha-carboxylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbonyl compound 18908
                                    ketone 17258
                                      oxo steroid 10532
                                        3-oxo steroid 9922
                                          3-oxo-Delta(4) steroid 9163
                                            progesterone 2726
                                              Delta(1)-progesterone 252
                                                prednisolone 241
                                                  prednisolone-16-carboxylic acid 0
                                                    methyl prednisolone-16-carboxylate 0
                                                      methyl prednisolone-16alpha-carboxylate 0
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