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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:11beta,17alpha,21-trihydroxypregnenolone
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Accession:CHEBI:27783 term browser browse the term
Definition:A 17alpha-hydroxy steroid that has formula C21H32O5.
Synonyms:exact_synonym: 3beta,11beta,17,21-tetrahydroxypregn-5-en-20-one
 related_synonym: Formula=C21H32O5;   InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1;   InChIKey=HAFVWTUQBYRPOB-HCMGWXKDSA-N;   SMILES=[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
 alt_id: CHEBI:19130;   CHEBI:733
 xref: Beilstein:2629658;   KEGG:C05489


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          heteroatomic molecular entity 0
            hydroxides 0
              organic hydroxy compound 0
                hydroxy steroid 0
                  21-hydroxy steroid 0
                    11beta,17alpha,21-trihydroxypregnenolone 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxyketone 0
                                        alpha-oxyketone 0
                                          alpha-hydroxy ketone 0
                                            primary alpha-hydroxy ketone 0
                                              11beta,17alpha,21-trihydroxypregnenolone 0
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