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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:17alpha-hydroxypregn-5-ene-3,20-dione
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Accession:CHEBI:63843 term browser browse the term
Definition:A C21-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20 as well as a hydroxy group at position 17.
Synonyms:exact_synonym: 17-hydroxypregn-5-ene-3,20-dione
 related_synonym: 17-Hydroxypregnenedione;   Formula=C21H30O3;   InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1;   InChIKey=RCFJDVCRANOZEL-CEGNMAFCSA-N;   SMILES=[H][C@@]12CC=C3CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)=O;   pregn-5-ene-3,20-dione-17-ol
 xref: CAS:641-80-5;   Reaxys:3104241


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Term Annotations click to browse term
  CHEBI ontology 19898
    chemical entity 19896
      molecular entity 19896
        polyatomic entity 19848
          heteroatomic molecular entity 19806
            hydroxides 19365
              organic hydroxy compound 18978
                alpha-hydroxy ketone 8920
                  tertiary alpha-hydroxy ketone 8621
                    17alpha-hydroxypregn-5-ene-3,20-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19898
    subatomic particle 19896
      composite particle 19896
        hadron 19896
          baryon 19896
            nucleon 19896
              atomic nucleus 19896
                atom 19896
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19774
                        carbon atom 19771
                          organic molecular entity 19771
                            organic molecule 19724
                              organic cyclic compound 19515
                                organic polycyclic compound 17303
                                  steroid 14730
                                    hydroxy steroid 14478
                                      3-hydroxy steroid 12819
                                        3beta-hydroxy steroid 2547
                                          3beta-hydroxy-Delta(5)-steroid 2373
                                            3-oxo-Delta(5)-steroid 1
                                              17alpha-hydroxypregn-5-ene-3,20-dione 0
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