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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-4alpha-methyl-5alpha-androstan-3-one
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Accession:CHEBI:79754 term browser browse the term
Definition:An androstanoid that is 5alpha-androstane substituted by a methyl group at position 4, a hydroxy group at position 17 and an oxo group at position 3.
Synonyms:exact_synonym: (4alpha,5alpha)-17beta-hydroxy-4-methylandrostan-3-one
 related_synonym: 4,5alpha-Dihydro-4alpha-methyltestosterone;   Formula=C20H32O2;   InChI=1S/C20H32O2/c1-12-14-5-4-13-15-6-7-18(22)20(15,3)10-8-16(13)19(14,2)11-9-17(12)21/h12-16,18,22H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,18-,19-,20-/m0/s1;   InChIKey=XHGXHTGXZKYMDE-VDBAHQDGSA-N;   SMILES=[C@@]12([C@@]([C@@]3([C@]([C@@H](C(CC3)=O)C)(CC1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])O)C)[H])[H]
 xref: CAS:10147-53-2;   KEGG:C15252;   PMID:7701540;   Reaxys:2535969


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    chemical entity 19800
      atom 19797
        nonmetal atom 19672
          carbon atom 19572
            organic molecular entity 19572
              lipid 16998
                steroid 12805
                  androstanoid 2897
                    17beta-hydroxy-4alpha-methyl-5alpha-androstan-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic group 18520
                              organic divalent group 18513
                                organodiyl group 18513
                                  carbonyl group 18415
                                    carbonyl compound 18415
                                      ketone 16154
                                        oxo steroid 9285
                                          3-oxo steroid 8812
                                            3-oxo-5alpha-steroid 993
                                              17beta-hydroxy-4alpha-methyl-5alpha-androstan-3-one 0
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