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ONTOLOGY REPORT - ANNOTATIONS


Term:17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside
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Accession:CHEBI:73201 term browser browse the term
Definition:A steroid glucosiduronic acid that consists of 17alpha-estradiol having beta-glucuronyl and alpha-N-acetylglucosaminyl residues attached via glycosidic linkages at positions 3 and 17 respectively.
Synonyms:exact_synonym: (17alpha)-17-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]estra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: 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-JHZMAZKOSA-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)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
 xref: MetaCyc:ALPHA-N-ACETYL-ETCETERA-ESTRADIOL-GLUCUR
 cyclic_relationship: is_conjugate_acid_of CHEBI:73194


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Term Annotations click to browse term
  CHEBI ontology 19679
    role 19623
      biological role 19621
        molecular messenger 17950
          hormone 17754
            sex hormone 17604
              estrogen 17522
                estradiol 9478
                  17alpha-estradiol 0
                    17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            heteroorganic entity 19012
                              organochalcogen compound 18727
                                organooxygen compound 18635
                                  carbohydrates and carbohydrate derivatives 11733
                                    carbohydrate 11733
                                      carbohydrate derivative 11346
                                        glycosyl compound 10293
                                          glycoside 9108
                                            glycosiduronic acid 129
                                              glucosiduronic acid 129
                                                steroid glucosiduronic acid 25
                                                  17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside 0
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