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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:17beta-hydroxy-5alpha-estr-1(10)-en-3-one
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Accession:CHEBI:137110 term browser browse the term
Definition:A 3-oxo-5alpha-steroid that is 5alpha-estrane which is substituted by an oxo group at position 3, a hydroxy group at the 17beta position, and which has a double bond between positions 1 and 10. It is a 19-norsteroid arising from successive oxidation of dihydrotestosterone at C19.
Synonyms:related_synonym: (5alpha,17beta)-17-hydroxyestr-1(10)-en-3-one;   17beta-hydroxy-3-oxo-19-nor-5alpha-androst-1-ene;   Delta(1)(,)(10)-dehydro 19-nordihydrotestosterone;   Formula=C18H26O2;   InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h5,11,14-17,20H,2-4,6-10H2,1H3/t11-,14+,15+,16-,17-,18-/m0/s1;   InChIKey=NIELHBRGWMDPDV-PONDEJGUSA-N;   SMILES=C1=C2[C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O)[H])C)[H]
 xref: PMID:22773874;   Reaxys:2621103


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    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                steroid 0
                  C18-steroid 0
                    17beta-hydroxy-5alpha-estr-1(10)-en-3-one 0
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    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
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                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        oxo steroid 0
                                          3-oxo steroid 0
                                            3-oxo-5alpha-steroid 0
                                              17beta-hydroxy-5alpha-estr-1(10)-en-3-one 0
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