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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:3beta-(2-diethylaminoethoxy)androst-5-en-17-one
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Accession:CHEBI:190402 term browser browse the term
Definition:A 17-oxo steroid that is dehydroepiandrosterone in which the hydroxy group at position 3beta is replaced by a 2-(diethylamino)ethoxy group. It is a cholesterol biosynthesis inhibitor and induces cataracts in rats.
Synonyms:related_synonym: 3beta-(2-(diethylamino)ethoxy)androst-5-en-17-one;   Formula=C25H41NO2;   InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1;   InChIKey=DMZCCFMMPHJWQY-BKWLFHPQSA-N;   SMILES=[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)OCCN(CC)CC;   U-18666A (free base);   U18666A (free base)
 xref: CAS:2855-62-1;   Chemspider:8129693;   PDBeChem:MKM;   PMID:11171067;   PMID:15102959;   PMID:15322907;   PMID:16033255;   PMID:16149744;   PMID:179297;   PMID:19158313;   PMID:31165728;   PMID:467524;   PMID:6661410;   PMID:9514411
 cyclic_relationship: is_conjugate_base_of CHEBI:190403


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    role 19880
      biological role 19878
        inhibitor 18967
          sterol biosynthesis inhibitor 6577
            3beta-(2-diethylaminoethoxy)androst-5-en-17-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            organic molecule 19735
                              organic cyclic compound 19528
                                organic polycyclic compound 17344
                                  steroid 15164
                                    hydroxy steroid 14987
                                      3-hydroxy steroid 13668
                                        3beta-hydroxy steroid 2552
                                          3beta-hydroxy-Delta(5)-steroid 2377
                                            dehydroepiandrosterone 120
                                              3beta-(2-diethylaminoethoxy)androst-5-en-17-one 0
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