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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-androstane-3beta,17beta-diol
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Accession:CHEBI:18329 term browser browse the term
Definition:An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone.
Synonyms:related_synonym: (3beta,5alpha,17beta)-androstane-3,17-diol;   3beta,17beta-dihydroxy-5alpha-androstane;   5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL;   5alpha-Androstan-3beta,17beta-diol;   Formula=C19H32O2;   InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1;   InChIKey=CBMYJHIOYJEBSB-YSZCXEEOSA-N;   SMILES=[H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2
 alt_id: CHEBI:12167;   CHEBI:20637;   CHEBI:31138;   CHEBI:40768
 xref: Beilstein:2559488;   CAS:571-20-0;   DrugBank:DB03882;   HMDB:HMDB0000493;   KEGG:C12525;   LIPID_MAPS_instance:LMST02020053;   PDBeChem:AOM;   PMID:15958594;   Reaxys:2559488


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            eukaryotic metabolite 18850
              animal metabolite 18575
                mammalian metabolite 18564
                  human metabolite 18235
                    5alpha-androstane-3beta,17beta-diol 0
                      (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
                      5alpha-androstane-3alpha,17beta-diol disulfate 0
                      5alpha-androstane-3beta,17beta-diol 17-O-(beta-D-glucuronide) 0
                      5alpha-androstane-3beta,17beta-diol disulfate 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 molecule 19494
                              organic cyclic compound 19264
                                organic polycyclic compound 16401
                                  steroid 12805
                                    steroid fundamental parent 12419
                                      androstane 4343
                                        androstanoid 2897
                                          androstane-3,17-diol 16
                                            5alpha-androstane-3beta,17beta-diol 0
                                              (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
                                              5alpha-androstane-3alpha,17beta-diol disulfate 0
                                              5alpha-androstane-3beta,17beta-diol 17-O-(beta-D-glucuronide) 0
                                              5alpha-androstane-3beta,17beta-diol disulfate 0
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