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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 23810
    role 23697
      biological role 23660
        xenobiotic 19325
          prednisolone 240
            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 23810
    subatomic particle 23761
      composite particle 23761
        hadron 23761
          baryon 23761
            nucleon 23761
              atomic nucleus 23761
                atom 23761
                  main group element atom 23578
                    p-block element atom 23578
                      carbon group element atom 23291
                        carbon atom 23245
                          organic molecular entity 23245
                            organic group 21926
                              organic divalent group 21898
                                organodiyl group 21898
                                  carbonyl group 21870
                                    carbonyl compound 21870
                                      ketone 18033
                                        cyclic ketone 14500
                                          3-oxo steroid 9312
                                            3-oxo-Delta(4) steroid 8412
                                              3-oxo-Delta(1),Delta(4)-steroid 5388
                                                Delta(1)-progesterone 245
                                                  prednisolone 240
                                                    prednisolone-16-carboxylic acid 0
                                                      prednisolone-16alpha-carboxylic acid 0
                                                        methyl prednisolone-16alpha-carboxylate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.