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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:4-pregnen-3beta,20alpha-diol
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Accession:CHEBI:85903 term browser browse the term
Definition:A C21-steroid in which a pregnane skeleton carries a beta-hydroxy group at position 3, an alpha-hydroxy group at position 20 and a double bond between positions 4 and 5.
Synonyms:exact_synonym: (20S)-pregn-4-ene-3beta,20-diol
 related_synonym: (3beta,20S)-pregn-4-ene-3,20-diol;   3beta,20alpha-dihydroxypregn-4-ene;   Formula=C21H34O2;   InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,15-19,22-23H,4-11H2,1-3H3/t13-,15-,16-,17+,18-,19-,20-,21+/m0/s1;   InChIKey=IBMZAHKIAAJREF-YZXCLFAISA-N;   SMILES=C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
 xref: PMID:12732193;   Reaxys:6277111


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Term Annotations click to browse term
  CHEBI ontology 19911
    chemical entity 19909
      group 19863
        organic group 18984
          3-oxo-Delta(4)-steroid group 9170
            3-oxo-Delta(4) steroid 9174
              progesterone 2728
                4-pregnen-3beta,20alpha-diol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    p-block element atom 19849
                      carbon group element atom 19766
                        carbon atom 19785
                          organic molecular entity 19785
                            heteroorganic entity 19541
                              organochalcogen compound 19301
                                organooxygen compound 19193
                                  carbonyl compound 18937
                                    ketone 17268
                                      oxo steroid 10529
                                        3-oxo steroid 9919
                                          3-oxo-Delta(4) steroid 9174
                                            progesterone 2728
                                              4-pregnen-3beta,20alpha-diol 0
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