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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:5alpha-androst-1-ene-3,17-dione
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Accession:CHEBI:133930 term browser browse the term
Definition:A 3-oxo Delta(1)-steroid that is androst-1-ene substituted by oxo groups at positions 3 and 17.
Synonyms:related_synonym: 1-Androstenedione;   Delta(1)-androstene-3,17-dione;   Formula=C19H26O2;   InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1;   InChIKey=WJIQCDPCDVWDDE-WZNAKSSCSA-N;   SMILES=C1C[C@@]2([C@@]([C@@]3([C@@]1(CC(C=C3)=O)[H])C)(CC[C@@]4(C(=O)CC[C@@]24[H])C)[H])[H];   delta1-5alpha-Androstene-3,17-dione
 xref: CAS:571-40-4;   PMID:17123559;   PMID:21310167;   PMID:22350385;   PMID:23090723;   PMID:25797375;   PMID:8655514;   Reaxys:3085323


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Term Annotations click to browse term
  CHEBI ontology 19816
    chemical entity 19816
      atom 19814
        nonmetal atom 19690
          carbon atom 19597
            organic molecular entity 19597
              olefinic compound 14474
                enone 8524
                  3-oxo-Delta(1) steroid 5113
                    5alpha-androst-1-ene-3,17-dione 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      ketone 16173
                                        oxo steroid 9283
                                          3-oxo steroid 8811
                                            3-oxo-Delta(1) steroid 5113
                                              5alpha-androst-1-ene-3,17-dione 0
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