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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:epitestosterone 17-O-(beta-D-glucuronide)(1-)
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Accession:CHEBI:136673 term browser browse the term
Definition:A steroid glucuronide anion that is the conjugate base of epitestosterone 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Synonyms:exact_synonym: 3-oxoandrost-4-en-17alpha-yl beta-D-glucopyranosiduronate
 related_synonym: Formula=C25H35O8;   InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/p-1/t14-,15-,16-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1;   InChIKey=NIKZPECGCSUSBV-RWUBDERLSA-M;   SMILES=[C@@]12([C@@]([C@@]3(C(CC1)=CC(CC3)=O)C)(CC[C@]4(C)[C@@H](CC[C@@]24[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)[H])[H];   epitestosterone 17-O-(beta-D-glucuronate)
 xref: PMID:19022937
 cyclic_relationship: is_conjugate_base_of CHEBI:137491


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      group 19850
        organic group 19002
          3-oxo-Delta(4)-steroid group 9176
            3-oxo-Delta(4) steroid 9176
              epitestosterone 2
                epitestosterone 17-O-(beta-D-glucuronide)(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbonyl compound 18933
                                    ketone 17278
                                      oxo steroid 10545
                                        3-oxo steroid 9934
                                          3-oxo-Delta(4) steroid 9176
                                            epitestosterone 2
                                              epitestosterone 17-O-(beta-D-glucuronide)(1-) 0
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