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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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  CHEBI ontology 221
    chemical entity 221
      atom 221
        nonmetal atom 214
          carbon atom 202
            organic molecular entity 202
              lipid 101
                steroid 40
                  C18-steroid 0
                    17beta-hydroxy-5alpha-estr-1(10)-en-3-one 0
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  CHEBI ontology 221
    subatomic particle 221
      composite particle 221
        hadron 221
          baryon 221
            nucleon 221
              atomic nucleus 221
                atom 221
                  main group element atom 214
                    p-block element atom 214
                      carbon group element atom 203
                        carbon atom 202
                          organic molecular entity 202
                            organic group 151
                              organic divalent group 150
                                organodiyl group 150
                                  carbonyl group 150
                                    carbonyl compound 150
                                      ketone 48
                                        oxo steroid 23
                                          3-oxo steroid 21
                                            3-oxo-5alpha-steroid 1
                                              17beta-hydroxy-5alpha-estr-1(10)-en-3-one 0
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