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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:17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid
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Accession:CHEBI:16129 term browser browse the term
Definition:A derivative of 17alpha-estradiol having beta-glucosiduronic acid and N-acetyl-beta-D-glucosaminyl groups attached at the 3- and 17-positions respectively.
Synonyms:exact_synonym: 17alpha-(2-acetamido-2-deoxy-D-glucopyranosyloxy)estra-1,3,5(10)-trien-3-yl-beta-D-glucopyranosiduronic acid
 related_synonym: 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside;   17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucuronide;   Formula=C32H45NO13;   InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27-,28+,30?,31-,32+/m1/s1;   InChIKey=BHYDXVJSMVVTCR-UZIFMWCRSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
 alt_id: CHEBI:11338;   CHEBI:19171;   CHEBI:787
 xref: KEGG:C04806
 cyclic_relationship: is_conjugate_acid_of CHEBI:57650

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      application 0
        pharmaceutical 0
          drug 0
            protective agent 0
              geroprotector 0
                17alpha-estradiol 0
                  17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            glycosiduronic acid 0
                                              glucosiduronic acid 0
                                                steroid glucosiduronic acid 0
                                                  17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid 0
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