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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 842
    role 819
      biological role 819
        xenobiotic 104
          prednisolone 0
            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 842
    subatomic particle 826
      composite particle 826
        hadron 826
          baryon 826
            nucleon 826
              atomic nucleus 826
                atom 826
                  main group element atom 814
                    p-block element atom 811
                      carbon group element atom 782
                        carbon atom 778
                          organic molecular entity 778
                            organic group 358
                              organic divalent group 356
                                organodiyl group 356
                                  carbonyl group 355
                                    carbonyl compound 355
                                      ketone 168
                                        cyclic ketone 152
                                          3-oxo steroid 50
                                            3-oxo-Delta(4) steroid 50
                                              3-oxo-Delta(1),Delta(4)-steroid 17
                                                Delta(1)-progesterone 0
                                                  prednisolone 0
                                                    prednisolone-16-carboxylic acid 0
                                                      prednisolone-16alpha-carboxylic acid 0
                                                        methyl prednisolone-16alpha-carboxylate 0
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