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ONTOLOGY REPORT - ANNOTATIONS


Term:methyl prednisolone-16alpha-carboxylate
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Accession:CHEBI:47890 term browser browse the term
Definition:A methyl prednisolone-16-carboxylate that has formula C23H30O7.
Synonyms:exact_synonym: methyl 11beta,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16alpha-carboxylate
 related_synonym: 16alpha-methoxycarbonylprednisolone;   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-UAHQIDPDSA-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)OC)[C@]1(O)C(=O)CO;   methyl (11beta,16alpha)-11,17,21-trihydroxy-3,20-dioxopregna-1,4-diene-16-carboxylate;   methyl 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione-16-carboxylic acid
 xref: Beilstein:4213580;   CAS:111802-47-2


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Term Annotations click to browse term
  CHEBI ontology 21260
    role 21244
      biological role 21242
        xenobiotic 18868
          prednisolone 237
            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 21260
    subatomic particle 21256
      composite particle 21256
        hadron 21256
          baryon 21256
            nucleon 21256
              atomic nucleus 21256
                atom 21256
                  main group element atom 21122
                    p-block element atom 21122
                      carbon group element atom 20893
                        carbon atom 20784
                          organic molecular entity 20784
                            organic group 19177
                              organic divalent group 19167
                                organodiyl group 19167
                                  carbonyl group 19137
                                    carbonyl compound 19137
                                      ketone 16273
                                        cyclic ketone 13592
                                          3-oxo steroid 8913
                                            3-oxo-Delta(4) steroid 8038
                                              3-oxo-Delta(1),Delta(4)-steroid 5164
                                                Delta(1)-progesterone 242
                                                  prednisolone 237
                                                    prednisolone-16-carboxylic acid 0
                                                      prednisolone-16alpha-carboxylic acid 0
                                                        methyl prednisolone-16alpha-carboxylate 0
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