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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:3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
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Accession:CHEBI:1684 term browser browse the term
Definition:A 21-hydroxy steroid that has formula C21H32O5.
Synonyms:related_synonym: Formula=C21H32O5;   InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1;   InChIKey=YWTDWORQGPLRLL-RXKIGOLRSA-N;   SMILES=C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
 xref: KEGG:C05474


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      application 19661
        solvent 17026
          formic acid 9040
            formyl group 9002
              aldehyde 9002
                steroid aldehyde 92
                  3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            heteroorganic entity 19492
                              organochalcogen compound 19255
                                organooxygen compound 19172
                                  carbon oxoacid 18641
                                    carboxylic acid 18638
                                      carboacyl group 17698
                                        univalent carboacyl group 17698
                                          formyl group 9002
                                            aldehyde 9002
                                              steroid aldehyde 92
                                                3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al 0
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