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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:11,21-dioxoprogesterone
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Accession:CHEBI:78601 term browser browse the term
Definition:A C21-steroid that is progesterone carrying two additional oxo substituents at positions 11 and 21
Synonyms:exact_synonym: 3,11,20-trioxopregn-4-en-21-al
 related_synonym: 4-pregnen-3,11,20-trione-21-al;   Formula=C21H26O4;   InChI=1S/C21H26O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-16,19H,3-8,10H2,1-2H3/t14-,15-,16+,19+,20-,21-/m0/s1;   InChIKey=GWUQLPRDKICNSB-KJQYFISQSA-N;   SMILES=C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O;   pregn-4-ene-3,11,20,21-tetraone
 xref: Reaxys:3167679


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Term Annotations click to browse term
  CHEBI ontology 19917
    chemical entity 19915
      group 19869
        organic group 19015
          3-oxo-Delta(4)-steroid group 9169
            3-oxo-Delta(4) steroid 9169
              11,21-dioxoprogesterone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19917
    subatomic particle 19915
      composite particle 19915
        hadron 19915
          baryon 19915
            nucleon 19915
              atomic nucleus 19915
                atom 19915
                  main group element atom 19855
                    p-block element atom 19855
                      carbon group element atom 19774
                        carbon atom 19790
                          organic molecular entity 19790
                            heteroorganic entity 19549
                              organochalcogen compound 19309
                                organooxygen compound 19204
                                  carbon oxoacid 18689
                                    carboxylic acid 18686
                                      carboacyl group 17723
                                        univalent carboacyl group 17704
                                          formyl group 9050
                                            aldehyde 9050
                                              steroid aldehyde 92
                                                11,21-dioxoprogesterone 0
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